化学式

CAS号

IUPAC Name

叔-丁基3-[[(12S,15S,18S)-7-溴-4-氯-18-(3-羟基丙基)-13-甲基-15-[4-[(2-甲基-2-基)oxycarbonylamino]丁基]-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-18-(3-hydroxypropyl)-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-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/C46H61BrClN7O8S/c1-45(2,3)62-43(60)49-22-13-12-17-35-41(59)53(7)37(25-30-28-54(44(61)63-46(4,5)6)36-19-10-9-16-31(30)36)40(58)51-27-32-33(47)21-23-55(48)42(32)64-38-20-11-8-15-29(38)26-50-34(18-14-24-56)39(57)52-35/h8-11,15-16,19-21,28,34-35,37,50,56H,12-14,17-18,22-27H2,1-7H3,(H,49,60)(H,51,58)(H,52,57)/t34-,35-,37-/m0/s1

InChI Key

JUDSGPRMZMJKRG-IWQNTTPNSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC=C2Br)Cl)SC3=CC=CC=C3CNC(C(=O)N1)CCCO)CC4=CN(C5=CC=CC=C54)C(=O)OC(C)(C)C)C

别名

• SCHEMBL21404845