[2-{[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Amino}-5,11-Dioxo-2,3,11,11A-Tetrahydro-1H-Pyrrolo[2,1-c][1,4]Benzodiazepin-10(5H)-Yl]Acetic Acid
[CAS# 182624-46-0]

Identification

• Name: [2-{[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Amino}-5,11-Dioxo-2,3,11,11A-Tetrahydro-1H-Pyrrolo[2,1-c][1,4]Benzodiazepin-10(5H)-Yl]Acetic Acid
• Synonyms: (2S,11aS)-Fmoc-2-amino-10-carboxymethyl-1,2,3,11a-tetrahydro-10H-pyrrolo[2,1-c][1,4]-benzodiazepine-5,11-dione
• Molecular Formula: C₂₉H₂₅N₃O₆
• Molecular Weight: 511.53
• CAS Registry Number: 182624-46-0
• SMILES: O=C1c6c(N(C(=O)C5N1CC(NC(=O)OCC4c2ccccc2c3ccccc34)C5)CC(=O)O)cccc6
• InChI: 1S/C29H25N3O6/c33-26(34)15-32-24-12-6-5-11-22(24)27(35)31-14-17(13-25(31)28(32)36)30-29(37)38-16-23-20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-12,17,23,25H,13-16H2,(H,30,37)(H,33,34)
• InChIKey: IQPCJKBMGCKVGP-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 857.569°C at 760 mmHg (Cal.)
• Flash point: 472.441°C (Cal.)
• Refractive index: 1.723 (Cal.)