Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B4FO8Y
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| Binder Name |
Methyl N-[(1R)-2-[(2S)-2-[[4-[4-[[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
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| Synonyms |
CHEMBL3608913; SCHEMBL17490822; BDBM50114568
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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 |
C44H42F6N6O8
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| Canonical SMILES |
COC(=O)N[C@H](C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](C6=CC=CC=C6)NC(=O)OC)C(F)(F)F)C(F)(F)F
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| InChI |
1S/C44H42F6N6O8/c1-63-41(61)53-35(25-11-5-3-6-12-25)39(59)55-21-9-15-33(55)37(57)51-27-17-19-29(31(23-27)43(45,46)47)30-20-18-28(24-32(30)44(48,49)50)52-38(58)34-16-10-22-56(34)40(60)36(54-42(62)64-2)26-13-7-4-8-14-26/h3-8,11-14,17-20,23-24,33-36H,9-10,15-16,21-22H2,1-2H3,(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t33-,34-,35+,36+/m0/s1
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| InChIKey |
RKBPMDRKFVZSCF-CLLHQPRTSA-N
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| PubChem Compound ID | ||||
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