Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6B7VR
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| Binder Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(6R,9S,12R)-6,9-dibenzyl-12-[3-(diaminomethylideneamino)propyl]-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicos-4-yl]acetyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL304752; BDBM50030214
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C45H66N12O9S
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N
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| InChI |
1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32+,33-,34-,35+/m0/s1
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| InChIKey |
WGEKOVQGZROQRH-FVXJUOQQSA-N
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| PubChem Compound ID | ||||
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