化学式

CAS号

IUPAC Name

4-[(12S,15S,18S)-4-氯-12-(1H-吲哚-3-甲基)-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-7-基]-2-羟基苯甲酸 4-[(12S,15S,18S)-4-chloro-12-(1H-indol-3-ylmethyl)-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-7-yl]-2-hydroxybenzoic acid

InChI

InChI=1S/C53H67ClN8O10S/c1-52(2,3)71-50(69)55-24-13-12-18-41-47(66)61(7)42(27-34-30-57-39-17-10-9-16-36(34)39)46(65)59-31-38-35(32-21-22-37(49(67)68)43(63)28-32)23-26-62(54)48(38)73-44-20-11-8-15-33(44)29-58-40(45(64)60-41)19-14-25-56-51(70)72-53(4,5)6/h8-11,15-17,20-23,28,30,40-42,57-58,63H,12-14,18-19,24-27,29,31H2,1-7H3,(H,55,69)(H,56,70)(H,59,65)(H,60,64)(H,67,68)/t40-,41-,42-/m0/s1

InChI Key

HPKWTUNVHYTLLM-BJKOEGOMSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC=C2C3=CC(=C(C=C3)C(=O)O)O)Cl)SC4=CC=CC=C4CNC(C(=O)N1)CCCNC(=O)OC(C)(C)C)CC5=CNC6=CC=CC=C65)C

别名

• SCHEMBL21488463