化学式

CAS号

IUPAC Name

3-[[(12S,15S,18S)-7-溴-4-氯-13-甲基-15-[4-[(2-甲基-2-基)oxycarbonylamino]丁基]-18-[3-[(2-甲基-2-基)oxycarbonylamino]丙基]-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-羧酸 3-[[(12S,15S,18S)-7-bromo-4-chloro-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-18-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-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-carboxylic acid

InChI

InChI=1S/C47H62BrClN8O9S/c1-46(2,3)65-43(61)50-22-13-12-17-35-41(60)55(7)37(25-30-28-56(45(63)64)36-19-10-9-16-31(30)36)40(59)53-27-32-33(48)21-24-57(49)42(32)67-38-20-11-8-15-29(38)26-52-34(39(58)54-35)18-14-23-51-44(62)66-47(4,5)6/h8-11,15-16,19-21,28,34-35,37,52H,12-14,17-18,22-27H2,1-7H3,(H,50,61)(H,51,62)(H,53,59)(H,54,58)(H,63,64)/t34-,35-,37-/m0/s1

InChI Key

NFNQVHZRHOLACM-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)CCCNC(=O)OC(C)(C)C)CC4=CN(C5=CC=CC=C54)C(=O)O)C

别名

• SCHEMBL21488859