化学式

CAS号

IUPAC Name

4-[(12S,15S,18S)-15-(4-氨基丁基)-18-(3-氨基丙基)-4-氯-12-(1H-吲哚-3-甲基)-13-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)-15-(4-aminobutyl)-18-(3-aminopropyl)-4-chloro-12-(1H-indol-3-ylmethyl)-13-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/C42H51ClN8O6S2/c1-50-37(23-29-25-46-34-11-4-3-10-32(29)34)40(53)48-26-33-31(27-15-17-30(18-16-27)59(55,56)57)19-22-51(43)42(33)58-38-14-5-2-9-28(38)24-47-35(13-8-21-45)39(52)49-36(41(50)54)12-6-7-20-44/h2-5,9-11,14-19,25,35-37,46-47H,6-8,12-13,20-24,26,44-45H2,1H3,(H,48,53)(H,49,52)(H,55,56,57)/t35-,36-,37-/m0/s1

InChI Key

GDVIYHJBCOTFFO-FSEITFBQSA-N

Canonical SMILES

CN1C(C(=O)NCC2=C(N(CC=C2C3=CC=C(C=C3)S(=O)(=O)O)Cl)SC4=CC=CC=C4CNC(C(=O)NC(C1=O)CCCCN)CCCN)CC5=CNC6=CC=CC=C65

别名

• SCHEMBL21404851