化学式

CAS号

IUPAC Name

3-[[(12S,15S,18S)-7-溴-4-氯-18-[3-[(3-甲氧基-3-氧代丙基)-[(2-甲基-2-基)oxycarbonyl]氨基]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-羧酸 3-[[(12S,15S,18S)-7-bromo-4-chloro-18-[3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-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-carboxylic acid

InChI

InChI=1S/C51H68BrClN8O11S/c1-50(2,3)71-47(66)54-24-14-13-18-38-45(65)58(7)40(28-33-31-60(48(67)68)39-20-11-10-17-34(33)39)44(64)56-30-35-36(52)22-27-61(53)46(35)73-41-21-12-9-16-32(41)29-55-37(43(63)57-38)19-15-25-59(26-23-42(62)70-8)49(69)72-51(4,5)6/h9-12,16-17,20-22,31,37-38,40,55H,13-15,18-19,23-30H2,1-8H3,(H,54,66)(H,56,64)(H,57,63)(H,67,68)/t37-,38-,40-/m0/s1

InChI Key

WASYIFZGNCMGCY-ZHTZQEILSA-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)CCCN(CCC(=O)OC)C(=O)OC(C)(C)C)CC4=CN(C5=CC=CC=C54)C(=O)O)C

别名

• SCHEMBL21404856