2-[[3-(1H-Indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid
[CAS# 17388-70-4]

Identification

• Name: 2-[[3-(1H-Indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid
• Synonyms: 2-[[3-(1H-Indol-3-Yl)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Propyl]Amino]Acetic Acid; 2-[[2-(Benzyloxycarbonylamino)-3-(1H-Indol-3-Yl)Propanoyl]Amino]Acetic Acid; 2-[[3-(1H-Indol-3-Yl)-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₂₁H₂₁N₃O₅
• Molecular Weight: 395.41
• CAS Registry Number: 17388-70-4
• SMILES: C1=CC=CC2=C1C(=C[NH]2)CC(C(NCC(O)=O)=O)NC(OCC3=CC=CC=C3)=O
• InChI: 1S/C21H21N3O5/c25-19(26)12-23-20(27)18(10-15-11-22-17-9-5-4-8-16(15)17)24-21(28)29-13-14-6-2-1-3-7-14/h1-9,11,18,22H,10,12-13H2,(H,23,27)(H,24,28)(H,25,26)
• InChIKey: CKMNNKBYQJXRAB-UHFFFAOYSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 773.075°C at 760 mmHg (Cal.)
• Flash point: 421.341°C (Cal.)