ASG-15MF
     RDKit          2D

 66 68  0  0  1  0  0  0  0  0999 V2000
   -5.0097    0.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9466   -1.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0195    0.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2626    2.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2777    2.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4791    5.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3959    1.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2450   -1.4144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434    1.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1263   -8.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135   -4.9163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6995    2.6691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5607    0.0606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    3.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1363    2.7574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2720   -6.1743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1606    3.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2894    4.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2940    2.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    5.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253    3.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7116    2.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152    1.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423   -0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6266    1.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9959    3.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8450    1.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1262   -3.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5191   -2.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705    3.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391    0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1430   -0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -4.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    4.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6940   -0.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3623   -2.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9905    5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    4.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4097   -2.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520    4.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634    4.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4563    5.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1116   -0.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9921   -2.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9448    5.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8720    6.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    1.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6248    2.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7078   -4.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8587   -1.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    0.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9120   -1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963   -2.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2902   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4411   -2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1568   -3.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5920   -3.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1763   -4.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087   -7.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723   -6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4788   -8.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821   -7.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0
  1 36  1  0
  2 26  1  0
  2 40  1  0
  3 25  2  0
  4 30  2  0
  5 33  2  0
  6 45  2  0
  7 47  1  0
  8 47  2  0
  9 51  2  0
 10 63  2  0
 11 64  2  0
 12 18  1  0
 12 22  1  0
 12 25  1  0
 13 24  1  0
 13 33  1  0
 13 35  1  0
 14 30  1  0
 14 39  1  0
 15 34  1  0
 15 45  1  0
 16 44  1  0
 16 51  1  0
 16 52  1  0
 17 62  1  0
 17 63  1  0
 17 64  1  0
 18 19  1  0
 18 20  1  0
 19 21  1  0
 20 23  1  0
 21 22  1  0
 23 29  1  0
 23 30  1  0
 24 26  1  0
 24 28  1  0
 25 27  1  0
 26 27  1  0
 28 31  1  0
 28 32  1  0
 31 37  1  0
 33 34  1  0
 34 38  1  0
 38 41  1  0
 38 42  1  0
 39 43  1  0
 39 47  1  0
 43 48  1  0
 44 45  1  0
 44 46  1  0
 46 49  1  0
 46 50  1  0
 48 53  2  0
 48 54  1  0
 51 55  1  0
 53 58  1  0
 54 59  2  0
 55 56  1  0
 56 57  1  0
 57 61  1  0
 58 60  2  0
 59 60  1  0
 61 62  1  0
 63 65  1  0
 64 66  1  0
 65 66  2  0
M  END
>  <s_m_entry_id>  (1) 
90

>  <s_m_entry_name>  (1) 
mafodotin_Mc-MMAF.1

>  <chiral flag>  (1) 
1

>  <version>  (1) 
0

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

>  <s_m_Source_File>  (1) 
mafodotin_Mc-MMAF.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <PUBCHEM_COMPOUND_CID>  (1) 
56949327

>  <PUBCHEM_COMPOUND_CANONICALIZED>  (1) 
1

>  <PUBCHEM_CACTVS_COMPLEXITY>  (1) 
1680

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>  (1) 
11

>  <PUBCHEM_CACTVS_HBOND_DONOR>  (1) 
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>  (1) 
27

>  <PUBCHEM_CACTVS_SUBSKEYS>  (1) 
AAADcfB/vAAAAAAAAAAAAAAAAAAAAWIAAAAwAAAAAAAAAAABAAAAHgAQCAAADTzhmAYyCIPABgCIAiHSGACCAAAgAAAIiIGIAMgKYDaAkTGVYAAmtiCYiYec2OKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>  (1) 
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid

>  <PUBCHEM_IUPAC_CAS_NAME>  (1) 
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]-3-phenylpropanoic acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>  (1) 
(2<I>S</I>)-2-[[(2<I>R</I>,3<I>R</I>)-3-[(2<I>S</I>)-1-[(3<I>R</I>,4<I>S</I>,5<I>S</I>)-4-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

>  <PUBCHEM_IUPAC_NAME>  (1) 
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>  (1) 
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>  (1) 
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-maleimidohexanoyl(methyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propionic acid

>  <PUBCHEM_IUPAC_INCHI>  (1) 
InChI=1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13,15-16,20-21,24-25,30-33,35-37,42-45H,12,14,17-19,22-23,26-29H2,1-11H3,(H,50,60)(H,51,61)(H,63,64)/t32-,33+,35-,36-,37+,42-,43-,44-,45+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>  (1) 
ORFNVPGICPYLJV-YTVPMEHESA-N

>  <PUBCHEM_XLOGP3_AA>  (1) 
4.6

>  <PUBCHEM_EXACT_MASS>  (1) 
924.55720726

>  <PUBCHEM_MOLECULAR_FORMULA>  (1) 
C49H76N6O11

>  <PUBCHEM_OPENEYE_CAN_SMILES>  (1) 
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>  (1) 
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O

>  <PUBCHEM_CACTVS_TPSA>  (1) 
212

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>  (1) 
924.55720726

>  <PUBCHEM_TOTAL_CHARGE>  (1) 
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>  (1) 
66

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>  (1) 
9

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>  (1) 
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>  (1) 
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>  (1) 
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>  (1) 
0

>  <PUBCHEM_COMPONENT_COUNT>  (1) 
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>  (1) 
4

>  <PUBCHEM_COORDINATE_TYPE>  (1) 
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>  (1) 
20  1  6
24  13  6
39  14  6
34  15  5
44  16  6
18  67  5
26  2  6
23  29  6
28  32  5
48  53  8
48  54  8
53  58  8
54  59  8
58  60  8
59  60  8

>  <i_lp_mmshare_version>  (1) 
61128

>  <i_f3d_flags>  (1) 
0

>  <r_lp_tautomer_probability>  (1) 
1

>  <s_lp_Force_Field>  (1) 
S-OPLS

>  <r_lp_Energy>  (1) 
51.875652

>  <b_lp_Chiralities_Consistent>  (1) 
1

>  <s_lp_Variant>  (1) 
Belantamab mafodotin-1

>  <s_m_job_name>  (1) 
ligprep_20

>  <PUBCHEM_MOLECULAR_WEIGHT>  (1) 
925.2

$$$$
