Bivatuzumab mertansine
     RDKit          2D

 65 69  0  0  1  0  0  0  0  0999 V2000
    6.7205   -5.9788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5042    0.3700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    1.8682    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8534    0.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -2.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    5.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2658    6.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535    6.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -4.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    8.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -4.5524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006   -1.6845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6943   -5.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6940    0.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1027    2.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7372    1.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8742   -3.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    6.7365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8973   -3.6419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6868   -3.9960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9544   -0.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -0.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841    1.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7605    2.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943   -1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5880    4.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6097    3.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    4.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040   -2.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983    5.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983    5.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4191   -3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927    6.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0919   -3.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3522   -4.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782   -3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8888   -5.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2781   -6.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2928    3.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3613    7.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7014   -2.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2928   -4.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9471   -4.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7610   -2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1061    2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7235   -1.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3338   -0.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4661    1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7797   -4.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0955   -1.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3520   -3.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9617    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1697   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1220   -6.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9129    2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1733    1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9871    4.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5078    2.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7682    1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3005   -1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4872   -2.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3532   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0372   -2.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 44  1  0
  2  3  1  0
  2 55  1  0
  3 57  1  0
  4 22  1  0
  4 23  1  0
  5 25  1  0
  5 35  1  0
  6 26  1  0
  6 34  1  0
  7 31  1  0
  8 32  1  0
  8 42  1  0
  9 33  2  0
 10 34  2  0
 11 35  2  0
 12 46  2  0
 13 51  1  0
 13 56  1  0
 14 21  1  0
 14 61  1  0
 15 61  2  0
 16 64  2  0
 17 65  2  0
 18 31  1  0
 18 34  1  0
 19 33  1  0
 19 38  1  0
 19 39  1  0
 20 36  1  0
 20 45  1  0
 20 46  1  0
 21 64  1  0
 21 65  1  0
 22 23  1  0
 22 25  1  0
 22 27  1  0
 23 24  1  0
 24 26  1  0
 24 28  1  0
 25 30  1  0
 26 29  1  0
 29 31  1  0
 30 33  1  0
 31 32  1  0
 32 37  1  0
 35 36  1  0
 36 40  1  0
 37 41  2  0
 38 43  1  0
 38 44  2  0
 41 47  1  0
 43 48  2  0
 44 51  1  0
 46 52  1  0
 47 50  2  0
 48 49  1  0
 48 53  1  0
 49 50  1  0
 50 54  1  0
 51 53  2  0
 52 55  1  0
 57 58  1  0
 57 59  1  0
 58 60  1  0
 60 61  1  0
 62 63  1  0
 62 64  1  0
 63 65  1  0
M  END
>  <s_m_entry_id>  (1) 
31

>  <s_m_entry_name>  (1) 
SPP-DM1.1

>  <chiral flag>  (1) 
1

>  <version>  (1) 
0

>  <s_m_Source_Path>  (1) 
D:\Project\ADC\linker_payload

>  <s_m_Source_File>  (1) 
SPP-DM1.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <PUBCHEM_COMPOUND_CID>  (1) 
129896988

>  <PUBCHEM_COMPOUND_CANONICALIZED>  (1) 
1

>  <PUBCHEM_CACTVS_COMPLEXITY>  (1) 
1840

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>  (1) 
16

>  <PUBCHEM_CACTVS_HBOND_DONOR>  (1) 
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>  (1) 
16

>  <PUBCHEM_CACTVS_SUBSKEYS>  (1) 
AAADcfB/vABkAAAAAAAAAAAAEgAAAWAAAAA8QAAAAAAAAAABAAAAHgYUCAAADX7l2CayzoPQBgCIAiXSWACCCAAhJkAoiAGOb4kPJjfFs7vPcChn9jnb6Af//P/OBAABQgAACBAIAAKEAAAQIAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>  (1) 
(2,5-dioxopyrrolidin-1-yl) 4-[[3-[[(1S)-2-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-methyl-2-oxo-ethyl]-methyl-amino]-3-oxo-propyl]disulfanyl]pentanoate

>  <PUBCHEM_IUPAC_CAS_NAME>  (1) 
4-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoic acid (2,5-dioxo-1-pyrrolidinyl) ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>  (1) 
(2,5-dioxopyrrolidin-1-yl) 4-[[3-[[(2<I>S</I>)-1-[[(1<I>S</I>,2<I>R</I>,3<I>S</I>,5<I>S</I>,6<I>S</I>,16<I>E</I>,18<I>E</I>,20<I>R</I>,21<I>S</I>)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1<SUP>10,14</SUP>.0<SUP>3,5</SUP>]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate

>  <PUBCHEM_IUPAC_NAME>  (1) 
(2,5-dioxopyrrolidin-1-yl) 4-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>  (1) 
[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-oxidanylidene-propyl]disulfanyl]pentanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>  (1) 
4-[[3-[[(1S)-2-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-8,23-diketo-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-2-keto-1-methyl-ethyl]-methyl-amino]-3-keto-propyl]disulfanyl]valeric acid succinimido ester

>  <PUBCHEM_IUPAC_INCHI>  (1) 
InChI=1S/C44H59ClN4O14S2/c1-24-11-10-12-32(59-9)44(57)23-31(60-42(56)46-44)26(3)40-43(5,62-40)33(22-37(53)48(7)29-20-28(19-24)21-30(58-8)39(29)45)61-41(55)27(4)47(6)34(50)17-18-64-65-25(2)13-16-38(54)63-49-35(51)14-15-36(49)52/h10-12,20-21,25-27,31-33,40,57H,13-19,22-23H2,1-9H3,(H,46,56)/b12-10+,24-11+/t25?,26-,27+,31+,32-,33+,40+,43+,44+/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>  (1) 
ZMOVORWFEGTIJA-MUZJBSEYSA-N

>  <PUBCHEM_EXACT_MASS>  (1) 
966.3157726

>  <PUBCHEM_MOLECULAR_FORMULA>  (1) 
C44H59ClN4O14S2

>  <PUBCHEM_OPENEYE_CAN_SMILES>  (1) 
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSC(C)CCC(=O)ON5C(=O)CCC5=O)C)C)OC)(NC(=O)O2)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>  (1) 
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)CCC(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O

>  <PUBCHEM_CACTVS_TPSA>  (1) 
271

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>  (1) 
966.3157726

>  <PUBCHEM_TOTAL_CHARGE>  (1) 
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>  (1) 
65

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>  (1) 
8

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>  (1) 
1

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>  (1) 
2

>  <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) 
36  20  5
22  27  5
23  66  6
24  28  6
26  69  6
38  43  8
38  44  8
43  48  8
44  51  8
48  53  8
25  5  6
51  53  8
57  59  3
31  7  6
32  8  6

>  <i_lp_mmshare_version>  (1) 
61128

>  <i_f3d_flags>  (1) 
0

>  <r_lp_tautomer_probability>  (1) 
0.99990000499975

>  <s_lp_Force_Field>  (1) 
S-OPLS

>  <r_lp_Energy>  (1) 
32.781172

>  <b_lp_Chiralities_Consistent>  (1) 
1

>  <s_lp_Variant>  (1) 
SPP-DM1-1

>  <s_m_job_name>  (1) 
ligprep_15

>  <PUBCHEM_MOLECULAR_WEIGHT>  (1) 
967.5

>  <PUBCHEM_XLOGP3>  (1) 
2.3

$$$$
