Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B0UXI9
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| Binder Name |
(2S)-2-[[(2S)-2-[[(3S,6S,9R,20S)-6-[(2S)-Butan-2-yl]-3-[(4-hydroxyphenyl)methyl]-2,5,8,11,14-pentaoxo-9-(sulfanylmethyl)-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Synonyms |
CHEMBL1791378; BDBM50370739
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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 |
C46H58N8O13S
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCC(=O)N[C@H](C(=O)N1)CS)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)CC4=CC=C(C=C4)O
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| InChI |
1S/C46H58N8O13S/c1-3-26(2)40-45(63)51-35(23-28-9-15-31(55)16-10-28)42(60)49-33(6-4-5-21-47-38(57)19-20-39(58)48-37(25-68)44(62)53-40)41(59)50-34(22-27-7-13-30(14-8-27)54(66)67)43(61)52-36(46(64)65)24-29-11-17-32(56)18-12-29/h7-18,26,33-37,40,55-56,68H,3-6,19-25H2,1-2H3,(H,47,57)(H,48,58)(H,49,60)(H,50,59)(H,51,63)(H,52,61)(H,53,62)(H,64,65)/t26-,33-,34-,35-,36-,37-,40-/m0/s1
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| InChIKey |
OQHSANIMAVHJKH-NNQXNFOKSA-N
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| PubChem Compound ID | ||||
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