化学式

CAS号

IUPAC Name

(2S,4S)-4-[4-[3-[1-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[氯(甲基)氨基]丙酰基]氨基]-3,3-dimethylbutanoyl]-5-[[(1R)-1-苯基乙基]氨基甲酰]吡咯烷-3-基]三唑-4-基]苯基]三唑-1-基]-1-[(2S)-3,3-二甲基-2-[[(2S)-2-(甲基氨基)丙酰基]氨基]butanoyl]-N-[(1R)-1-苯基乙基]吡咯烷-2-羧酰胺 (2S,4S)-4-[4-[3-[1-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[chloro(methyl)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidin-3-yl]triazol-4-yl]phenyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide

InChI

InChI=1S/C56H75ClN14O6/c1-33(37-20-15-13-16-21-37)59-51(74)45-27-41(29-68(45)53(76)47(55(5,6)7)61-49(72)35(3)58-11)70-31-43(63-65-70)39-24-19-25-40(26-39)44-32-71(66-64-44)42-28-46(52(75)60-34(2)38-22-17-14-18-23-38)69(30-42)54(77)48(56(8,9)10)62-50(73)36(4)67(12)57/h13-26,31-36,41-42,45-48,58H,27-30H2,1-12H3,(H,59,74)(H,60,75)(H,61,72)(H,62,73)/t33-,34-,35+,36+,41+,42+,45+,46+,47-,48-/m1/s1

InChI Key

FCNAWSYULROKRZ-FQUXKFGNSA-N

Canonical SMILES

CC(C1=CC=CC=C1)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C(C)NC)N3C=C(N=N3)C4=CC(=CC=C4)C5=CN(N=N5)C6CC(N(C6)C(=O)C(C(C)(C)C)NC(=O)C(C)N(C)Cl)C(=O)NC(C)C7=CC=CC=C7

别名

• SCHEMBL16138371