Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BI4N2C
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| Binder Name |
(2S,3S)-2-[[(2R)-2-Acetamido-3-sulfanylpropanoyl]amino]-N-[(2S)-1-[[(3S,6S,9S)-3,6-bis[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-methylpentanamide
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| Synonyms |
CHEMBL1791364; BDBM50370719
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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 |
C44H57N7O10S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H]2CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)NC(=O)[C@H](CS)NC(=O)C
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| InChI |
1S/C44H57N7O10S/c1-4-25(2)38(51-43(60)37(24-62)46-26(3)52)44(61)50-36(23-29-12-18-32(55)19-13-29)41(58)47-33-7-5-6-20-45-39(56)34(21-27-8-14-30(53)15-9-27)48-42(59)35(49-40(33)57)22-28-10-16-31(54)17-11-28/h8-19,25,33-38,53-55,62H,4-7,20-24H2,1-3H3,(H,45,56)(H,46,52)(H,47,58)(H,48,59)(H,49,57)(H,50,61)(H,51,60)/t25-,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
BUZWPRLSTPDGSQ-ZRUDDMCFSA-N
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| PubChem Compound ID | ||||
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