化学式

CAS号

IUPAC Name

(2,5-二氧代吡咯烷-1-基)N-[6-[[(4S,10S,13S,27S,34S)-4-(2-氨基-2-氧代乙基)-34-[(2S)-丁-2-基]-8-羟基-2,5,11,14,27,30,33,36,39-nonaoxo-13-[(1R)-1-(2-氧代-1,3-二氧杂烷-4-基)乙基]-27λ4-硫杂-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24), (2,5-dioxopyrrolidin-1-yl) N-[6-[[(4S,10S,13S,27S,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-13-[(1R)-1-(2-oxo-1,3-dioxolan-4-yl)ethyl]-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

InChI

InChI=1S/C51H68N12O19S/c1-4-24(2)41-46(73)55-19-37(66)56-33-23-83(78)48-29(28-10-9-27(16-30(28)59-48)79-14-8-6-5-7-13-53-50(76)82-63-39(68)11-12-40(63)69)17-31(43(70)54-20-38(67)60-41)57-47(74)42(25(3)35-22-80-51(77)81-35)61-45(72)34-15-26(64)21-62(34)49(75)32(18-36(52)65)58-44(33)71/h9-10,16,24-26,31-35,41-42,59,64H,4-8,11-15,17-23H2,1-3H3,(H2,52,65)(H,53,76)(H,54,70)(H,55,73)(H,56,66)(H,57,74)(H,58,71)(H,60,67)(H,61,72)/t24-,25-,26?,31?,32-,33?,34-,35?,41-,42-,83-/m0/s1

InChI Key

BTIRNEQNJTZLNW-OCGAKTFXSA-N

Canonical SMILES

CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C5COC(=O)O5)C6=C(N3)C=C(C=C6)OCCCCCCNC(=O)ON7C(=O)CCC7=O

别名

• SCHEMBL16016042