化学式

CAS号

IUPAC Name

叔-丁基3-[[(12S,15S,18S)-7-溴-4-氯-15-[4-[2,2-二氟乙基-[(2-甲基-2-基)oxycarbonyl]氨基]丁基]-18-(3-羟基丙基)-13-甲基-11,14,17-三氧代-2-硫杂-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-12-基]甲基]吲哚-1-甲酸基酯 tert-butyl 3-[[(12S,15S,18S)-7-bromo-4-chloro-15-[4-[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]-18-(3-hydroxypropyl)-13-methyl-11,14,17-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-12-yl]methyl]indole-1-carboxylate

InChI

InChI=1S/C48H63BrClF2N7O8S/c1-47(2,3)66-45(64)57(29-40(51)52)22-13-12-17-36-43(63)56(7)38(25-31-28-58(46(65)67-48(4,5)6)37-19-10-9-16-32(31)37)42(62)54-27-33-34(49)21-23-59(50)44(33)68-39-20-11-8-15-30(39)26-53-35(18-14-24-60)41(61)55-36/h8-11,15-16,19-21,28,35-36,38,40,53,60H,12-14,17-18,22-27,29H2,1-7H3,(H,54,62)(H,55,61)/t35-,36-,38-/m0/s1

InChI Key

XXSLXZHYGRJNLU-LYDQXETESA-N

Canonical SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC3C(=O)NCC4=C(N(CC=C4Br)Cl)SC5=CC=CC=C5CNC(C(=O)NC(C(=O)N3C)CCCCN(CC(F)F)C(=O)OC(C)(C)C)CCCO

别名

• SCHEMBL21404854