化学式

CAS号

IUPAC Name

4-[(12S,15S,18S)-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]-12-[[1-[(2-甲基-2-基)oxycarbonyl]吲哚-3-基]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-7-基]苯磺酸 4-[(12S,15S,18S)-4-chloro-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-18-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-12-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]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-7-yl]benzenesulfonic acid

InChI

InChI=1S/C57H75ClN8O12S2/c1-55(2,3)76-52(70)59-29-16-15-20-44-50(69)64(10)46(32-38-35-65(54(72)78-57(7,8)9)45-22-13-12-19-41(38)45)49(68)62-34-42-40(36-24-26-39(27-25-36)80(73,74)75)28-31-66(58)51(42)79-47-23-14-11-18-37(47)33-61-43(48(67)63-44)21-17-30-60-53(71)77-56(4,5)6/h11-14,18-19,22-28,35,43-44,46,61H,15-17,20-21,29-34H2,1-10H3,(H,59,70)(H,60,71)(H,62,68)(H,63,67)(H,73,74,75)/t43-,44-,46-/m0/s1

InChI Key

GUDYESNGLFXZPH-UDVBZZPGSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC=C2C3=CC=C(C=C3)S(=O)(=O)O)Cl)SC4=CC=CC=C4CNC(C(=O)N1)CCCNC(=O)OC(C)(C)C)CC5=CN(C6=CC=CC=C65)C(=O)OC(C)(C)C)C

别名

• SCHEMBL21404806