(1S,2S,9S,9aR)-6-Methyl-7-Amino-9-(Carbamoyloxymethyl)-9A-Methoxy-10-(Benzyloxycarbonyl)-1,2-Epimino-2,3,9,9A-Tetrahydro-1H-Pyrrolo[1,2-a]Indole-5,8-Dione
[CAS# 86476-06-4]

Identification

• Name: (1S,2S,9S,9aR)-6-Methyl-7-Amino-9-(Carbamoyloxymethyl)-9A-Methoxy-10-(Benzyloxycarbonyl)-1,2-Epimino-2,3,9,9A-Tetrahydro-1H-Pyrrolo[1,2-a]Indole-5,8-Dione
• Synonyms: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid,6-amino-8-(((aminocarbonyl)oxy)methyl)-1a,4,7,8,8a,8b-hexahydro-8a-methoxy-5-methyl-4,7-dioxo-, phenylmethyl ester, (1aS-(1aα,8β,8aα,8bα))-
• Molecular Formula: C₂₃H₂₄N₄O₇
• Molecular Weight: 468.46
• CAS Registry Number: 86476-06-4
• SMILES: O=C\1/C2=C(\C(=O)/C(N)=C/1C)[C@H]([C@]4(OC)N2C[C@@H]5N(C(=O)OCc3ccccc3)[C@H]45)COC(=O)N
• InChI: 1S/C23H24N4O7/c1-11-16(24)19(29)15-13(10-33-21(25)30)23(32-2)20-14(8-26(23)17(15)18(11)28)27(20)22(31)34-9-12-6-4-3-5-7-12/h3-7,13-14,20H,8-10,24H2,1-2H3,(H2,25,30)/t13-,14+,20+,23-,27?/m1/s1
• InChIKey: CJIRVXBJPJZXCU-NEIQCHHRSA-N

Properties

• Density: 1.529g/cm³ (Cal.)
• Boiling point: 696.161°C at 760 mmHg (Cal.)
• Flash point: 374.825°C (Cal.)