化学式

CAS号

IUPAC Name

(2R,3S)-2-[4-[[2-[[(2S)-2,5-双(chloroamino)丁酰基]氨基]乙酰基]-环戊基氨基]苯基]-1-(2-氟-6-甲基苯甲酰基)-N-[4-甲基-3-(三氟甲基)苯基]哌啶-3-羧酰胺 (2R,3S)-2-[4-[[2-[[(2S)-2,5-bis(chloroamino)pentanoyl]amino]acetyl]-cyclopentylamino]phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

InChI

InChI=1S/C40H46Cl2F4N6O4/c1-24-14-17-27(22-31(24)40(44,45)46)49-37(54)30-11-7-21-51(39(56)35-25(2)8-5-12-32(35)43)36(30)26-15-18-29(19-16-26)52(28-9-3-4-10-28)34(53)23-47-38(55)33(50-42)13-6-20-48-41/h5,8,12,14-19,22,28,30,33,36,48,50H,3-4,6-7,9-11,13,20-21,23H2,1-2H3,(H,47,55)(H,49,54)/t30-,33-,36-/m0/s1

InChI Key

CFRRLTZGDOIRQV-DGKNVMSKSA-N

Canonical SMILES

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)N(C4CCCC4)C(=O)CNC(=O)C(CCCNCl)NCl)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F

别名

• SCHEMBL19425771