化学式

CAS号

IUPAC Name

叔-丁基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-甲酸基酯 tert-butyl 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-carboxylate

InChI

InChI=1S/C55H76BrClN8O11S/c1-53(2,3)74-50(70)58-27-17-16-21-41-48(69)62(10)43(31-36-34-64(52(72)76-55(7,8)9)42-23-14-13-20-37(36)42)47(68)60-33-38-39(56)25-30-65(57)49(38)77-44-24-15-12-19-35(44)32-59-40(46(67)61-41)22-18-28-63(29-26-45(66)73-11)51(71)75-54(4,5)6/h12-15,19-20,23-25,34,40-41,43,59H,16-18,21-22,26-33H2,1-11H3,(H,58,70)(H,60,68)(H,61,67)/t40-,41-,43-/m0/s1

InChI Key

CLCJOEOVQXJYTA-HMWSTLFVSA-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)OC(C)(C)C)C

别名

• SCHEMBL21404803