Lmab-CL2E-SN38
     RDKit          2D

123131  0  0  1  0  0  0  0  0999 V2000
   37.4728    4.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9735   -5.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2450   -0.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9881    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7774    5.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9303    4.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2506    0.4561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3817    1.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5113  -11.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9153   -7.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7197    1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4536   -8.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696  -10.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8726    0.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645   -8.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -4.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6619   -1.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148   -2.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5044   -2.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.9216    4.9323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1990    8.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.8352    8.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.8171    9.4652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7966    5.8891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0291    3.0447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2897   -8.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3007   -9.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5627   -6.2074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0854  -15.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429   -5.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.2052   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7720    2.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6225    0.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0712    0.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9060    1.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3547    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9217   -1.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0555    3.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0685   -3.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2740   -1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2050    6.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5688   -3.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0778   -2.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0711    7.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6102    7.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3406    8.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4826    7.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1300    6.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6355    6.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1601    4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2829    5.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2911    6.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6656    4.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4249    3.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5345    2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7843   -8.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6423  -10.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8871    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0058  -11.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0723    2.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1587  -10.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8639  -12.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6533  -10.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4208   -7.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5222  -11.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2274  -13.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0277  -11.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5777    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1087   -0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4722   -2.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1992   -4.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8061   -9.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3412   -3.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6937   -4.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9777   -2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3302   -3.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3912  -13.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9481   -8.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8967  -13.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2252    1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3671    0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0386  -12.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5955   -6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -7.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441  -12.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0145   -0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -6.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097   -4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5200   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622   -3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1674   -1.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9568   -3.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3094   -2.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.6383    5.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -30.6672    9.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -28.2365    3.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -32.4887    8.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9276    7.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -26.5357    4.9980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -23.9058    7.8869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2523    6.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.8036    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.9375    7.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2224    4.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1273    5.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7638    6.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.0870    5.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.3862    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.9531    4.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6328    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.7735    8.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -30.5043    4.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7747    6.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.3548    7.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9963    3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4112    7.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.0110   10.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2802    6.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8543    2.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5532    8.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4222    7.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0586    8.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1492    4.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  2  0
  2 39  2  0
  3 40  2  0
  4 47  1  0
  4 48  1  0
  5 49  1  0
  5 51  1  0
  6 54  1  0
  6 60  1  0
  7 58  1  0
  7 69  1  0
  8 58  2  0
  9 63  2  0
 10 64  2  0
 11 68  1  0
 11 80  1  0
 12 78  1  0
 12 83  1  0
 13 72  2  0
 14 81  1  0
 14 86  1  0
 15 84  2  0
 16 88  1  0
 16 90  1  0
 17 89  1  0
 17 91  1  0
 18 92  1  0
 18 93  1  0
 19 37  1  0
 19 39  1  0
 19 40  1  0
 20 38  1  0
 20 41  1  0
 21 23  2  0
 21 44  1  0
 22 23  1  0
 22 45  1  0
 22 46  1  0
 24 50  1  0
 24 52  1  0
 25 53  1  0
 25 55  1  0
 25 58  1  0
 26 56  1  0
 26 63  1  0
 27 61  1  0
 27 72  1  0
 28 64  1  0
 28 71  1  0
 29 66  1  0
 30 84  1  0
 30 87  1  0
 31 33  1  0
 31 34  1  0
 31 37  1  0
 32 35  1  0
 32 36  1  0
 32 38  1  0
 33 35  1  0
 34 36  1  0
 39 42  1  0
 40 43  1  0
 41 44  1  0
 42 43  2  0
 44 45  2  0
 46 47  1  0
 48 49  1  0
 50 53  1  0
 51 54  1  0
 52123  2  0
 52 98  1  0
 56 57  1  0
 56 64  1  0
 57 59  1  0
 59 62  1  0
 60 68  1  0
 61 63  1  0
 61 65  1  0
 62 66  1  0
 65 67  1  0
 67 77  1  0
 69 70  1  0
 70 75  2  0
 70 76  1  0
 71 73  2  0
 71 74  1  0
 72 78  1  0
 73 75  1  0
 74 76  2  0
 77 79  2  0
 79 82  1  0
 80 81  1  0
 82 85  2  0
 83 84  1  0
 86 89  1  0
 87 88  1  0
 90 92  1  0
 91 93  1  0
 94112  1  0
 94114  1  0
 95103  1  0
 96109  2  0
 97114  2  0
 98121  1  0
 99101  1  0
 99104  1  0
 99109  1  0
100106  2  0
100116  1  0
101106  1  0
101108  2  0
102103  1  0
102107  2  0
102108  1  0
103111  1  0
103114  1  0
104105  1  0
105106  1  0
105110  2  0
107109  1  0
107112  1  0
110113  1  0
110115  1  0
111117  1  0
113116  2  0
113118  1  0
115119  1  0
116120  1  0
118121  2  0
120122  2  0
121122  1  0
M  END
>  <i_m_stars>  (1) 
0

>  <s_m_entry_id>  (1) 
16

>  <s_m_entry_name>  (1) 
Structure16

>  <PUBCHEM_COMPOUND_CID>  (1) 
163196240

>  <PUBCHEM_COMPOUND_CANONICALIZED>  (1) 
1

>  <PUBCHEM_CACTVS_COMPLEXITY>  (1) 
3560

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>  (1) 
28

>  <PUBCHEM_CACTVS_HBOND_DONOR>  (1) 
7

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>  (1) 
59

>  <PUBCHEM_CACTVS_SUBSKEYS>  (1) 
AAADcfB//gAAAAAAAAAAAAAAAAAAAWLEAAA8YMECAAAAAFix/AAAHgAYCAAADWzhngY+zvPIFgCqAzX3XAKCjCQxsiAY2KH+fNgPZvbE8b+fcihm9jHb+Ye42POOiEABAAACAACQgAIAAAQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>  (1) 
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[2-[[4-[[(2S)-6-amino-2-[[(2S,5Z)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]acetyl]amino]octa-5,7-dienoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl-methyl-amino]ethyl]-N-methyl-carbamate

>  <PUBCHEM_IUPAC_CAS_NAME>  (1) 
N-[2-[[[4-[[(2S)-6-amino-2-[[(2S,5Z)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[[4-[(2,5-dioxo-1-pyrrolyl)methyl]cyclohexyl]-oxomethyl]amino]methyl]-1-triazolyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1-oxoethyl]amino]-1-oxoocta-5,7-dienyl]amino]-1-oxohexyl]amino]phenyl]methoxy-oxomethyl]-methylamino]ethyl]-N-methylcarbamic acid [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>  (1) 
[(19<I>S</I>)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0<SUP>2,11</SUP>.0<SUP>4,9</SUP>.0<SUP>15,20</SUP>]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] <I>N</I>-[2-[[4-[[(2<I>S</I>)-6-amino-2-[[(2<I>S</I>,5<I>Z</I>)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]octa-5,7-dienoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-<I>N</I>-methylcarbamate

>  <PUBCHEM_IUPAC_NAME>  (1) 
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[2-[[4-[[(2S)-6-amino-2-[[(2S,5Z)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]octa-5,7-dienoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>  (1) 
[(19S)-10,19-diethyl-19-oxidanyl-14,18-bis(oxidanylidene)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] N-[2-[[4-[[(2S)-6-azanyl-2-[[(2S,5Z)-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]cyclohexyl]carbonylamino]methyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethanoylamino]octa-5,7-dienoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl-methyl-amino]ethyl]-N-methyl-carbamate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>  (1) 
N-[2-[[4-[[(2S)-6-amino-2-[[(2S,5Z)-2-[[2-[2-keto-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-(maleimidomethyl)cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]acetyl]amino]octa-5,7-dienoyl]amino]hexanoyl]amino]benzyl]oxycarbonyl-methyl-amino]ethyl]-N-methyl-carbamic acid [(19S)-10,19-diethyl-19-hydroxy-14,18-diketo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] ester

>  <PUBCHEM_IUPAC_INCHI>  (1) 
InChI=1S/C86H118N14O24/c1-6-9-10-11-14-71(91-75(102)58-121-57-74(101)88-29-33-113-35-37-115-39-41-117-43-45-119-47-48-120-46-44-118-42-40-116-38-36-114-34-32-98-53-63(94-95-98)51-89-79(105)61-20-16-59(17-21-61)52-100-76(103)26-27-77(100)104)81(107)93-72(15-12-13-28-87)80(106)90-62-22-18-60(19-23-62)55-123-84(110)96(4)30-31-97(5)85(111)124-64-24-25-70-66(49-64)65(7-2)67-54-99-73(78(67)92-70)50-69-68(82(99)108)56-122-83(109)86(69,112)8-3/h6,9-10,18-19,22-27,49-50,53,59,61,71-72,112H,1,7-8,11-17,20-21,28-48,51-52,54-58,87H2,2-5H3,(H,88,101)(H,89,105)(H,90,106)(H,91,102)(H,93,107)/b10-9-/t59?,61?,71-,72-,86-/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>  (1) 
KGQBRCRWLBGUIJ-MKAHEWLKSA-N

>  <PUBCHEM_EXACT_MASS>  (1) 
1730.84434069

>  <PUBCHEM_MOLECULAR_FORMULA>  (1) 
C86H118N14O24

>  <PUBCHEM_MOLECULAR_WEIGHT>  (1) 
1731.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>  (1) 
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N(C)CCN(C)C(=O)OCC6=CC=C(C=C6)NC(=O)C(CCCCN)NC(=O)C(CCC=CC=C)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(=O)C8CCC(CC8)CN9C(=O)C=CC9=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>  (1) 
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N(C)CCN(C)C(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC/C=C\C=C)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(=O)C8CCC(CC8)CN9C(=O)C=CC9=O

>  <PUBCHEM_CACTVS_TPSA>  (1) 
462

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>  (1) 
1730.84434069

>  <PUBCHEM_TOTAL_CHARGE>  (1) 
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>  (1) 
124

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>  (1) 
3

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>  (1) 
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>  (1) 
1

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>  (1) 
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>  (1) 
0

>  <PUBCHEM_COMPONENT_COUNT>  (1) 
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>  (1) 
-1

>  <PUBCHEM_COORDINATE_TYPE>  (1) 
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>  (1) 
101  106  8
101  107  8
102  104  8
102  105  8
104  106  8
105  107  8
27  29  8
27  52  8
28  29  8
28  53  8
30  54  8
30  63  8
31  60  8
31  71  8
87  34  6
92  35  5
57  5  5
52  53  8
54  62  8
56  61  8
56  62  8
59  60  8
59  64  8
61  63  8
64  68  8
68  71  8
68  73  8
71  75  8
73  76  8
75  77  8
76  77  8

>  <s_m_Source_Path>  (1) 
D:\Downloads\ADC_temp

>  <s_m_Source_File>  (1) 
CL2E-SN38.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <chiral flag>  (1) 
1

>  <version>  (1) 
0

>  <PUBCHEM_XLOGP3_AA>  (1) 
0.4

$$$$
