Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BS4FB2
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| Binder Name |
2-[(4R,10S,13S,16S,19S,22S,25S,31R)-31-Acetamido-25-(3-amino-3-oxopropyl)-4-carbamoyl-19-(carboxymethyl)-13-methyl-16,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacont-10-yl]acetic acid
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| Synonyms |
CHEMBL3222140; BDBM50044554
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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 |
C40H64N12O16S2
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| Canonical SMILES |
C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)CC(C)C)CCC(=O)N)NC(=O)C)C(=O)N)CC(=O)O
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| InChI |
1S/C40H64N12O16S2/c1-17(2)9-22-38(66)45-19(5)34(62)49-24(11-31(57)58)35(63)43-14-30(56)48-26(33(42)61)15-69-70-16-27(46-20(6)53)36(64)44-13-29(55)47-21(7-8-28(41)54)37(65)50-23(10-18(3)4)39(67)52-25(12-32(59)60)40(68)51-22/h17-19,21-27H,7-16H2,1-6H3,(H2,41,54)(H2,42,61)(H,43,63)(H,44,64)(H,45,66)(H,46,53)(H,47,55)(H,48,56)(H,49,62)(H,50,65)(H,51,68)(H,52,67)(H,57,58)(H,59,60)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1
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| InChIKey |
CJGCLILUEYOGAO-FNRPHRCSSA-N
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| PubChem Compound ID | ||||
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