化学式

CAS号

IUPAC Name

(3S,6S,7R,9aS)-7-[[3-[1-[[(3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-[[(2S)-2-(chloroamino)butanoyl]氨基]-5-氧代-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]氮杂革-7-基]甲基]三唑-4-基]丙酰基氨基]甲基]-6-[[(2S)-2-aminobutanoyl]氨基]-N-二苯甲基-5-氧代-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a (3S,6S,7R,9aS)-7-[[3-[1-[[(3S,6S,7R,9aS)-3-(benzhydrylcarbamoyl)-6-[[(2S)-2-(chloroamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-7-yl]methyl]triazol-4-yl]propanoylamino]methyl]-6-[[(2S)-2-aminobutanoyl]amino]-N-benzhydryl-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide

InChI

InChI=1S/C61H75ClN12O7/c1-3-47(63)56(76)67-54-42(25-28-45-30-32-49(73(45)60(54)80)58(78)65-52(38-17-9-5-10-18-38)39-19-11-6-12-20-39)35-64-51(75)34-27-44-37-72(71-70-44)36-43-26-29-46-31-33-50(74(46)61(81)55(43)68-57(77)48(4-2)69-62)59(79)66-53(40-21-13-7-14-22-40)41-23-15-8-16-24-41/h5-24,37,42-43,45-50,52-55,69H,3-4,25-36,63H2,1-2H3,(H,64,75)(H,65,78)(H,66,79)(H,67,76)(H,68,77)/t42-,43-,45+,46+,47+,48+,49+,50+,54+,55+/m1/s1

InChI Key

SGBDNFODDAIRDO-IKXYQHTKSA-N

Canonical SMILES

CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CNC(=O)CCC5=CN(N=N5)CC6CCC7CCC(N7C(=O)C6NC(=O)C(CC)NCl)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9)N

别名

• SCHEMBL13859719