Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8J0VB
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| Binder Name |
[[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-Benzamidoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-(dimethylamino)methylidene]-dimethylazanium
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| Synonyms |
CHEMBL3946489; BDBM50194253
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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 |
C42H64N9O9+
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=[N+](C)C)N(C)C)C(=O)N[C@@H](CO)C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2
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| InChI |
1S/C42H63N9O9/c1-27(2)23-32(40(58)47-31(38(56)49-34(26-52)41(59)60-8)21-15-16-22-43-42(50(4)5)51(6)7)48-36(54)28(3)45-39(57)33(24-29-17-11-9-12-18-29)46-35(53)25-44-37(55)30-19-13-10-14-20-30/h9-14,17-20,27-28,31-34,52H,15-16,21-26H2,1-8H3,(H6,44,45,46,47,48,49,53,54,55,56,57,58)/p+1/t28-,31-,32-,33-,34-/m0/s1
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| InChIKey |
SIFGGHORAWRXAS-KMACTHOASA-O
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| PubChem Compound ID | ||||
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