2-[[2-(Benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid
[CAS# 16856-28-3]

Identification

• Name: 2-[[2-(Benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid
• Synonyms: 3-(1H-Indol-3-Yl)-2-[[1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropyl]Amino]Propanoic Acid; 2-[[2-(Benzyloxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propionic Acid; Nsc334025
• Molecular Formula: C₂₈H₂₇N₃O₅
• Molecular Weight: 485.54
• CAS Registry Number: 16856-28-3
• SMILES: C1=CC=CC2=C1C(=C[NH]2)CC(NC(C(CC3=CC=CC=C3)NC(OCC4=CC=CC=C4)=O)=O)C(O)=O
• InChI: 1S/C28H27N3O5/c32-26(30-25(27(33)34)16-21-17-29-23-14-8-7-13-22(21)23)24(15-19-9-3-1-4-10-19)31-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,29H,15-16,18H2,(H,30,32)(H,31,35)(H,33,34)
• InChIKey: XPJAHPOAFDDPPF-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 819.28°C at 760 mmHg (Cal.)
• Flash point: 449.284°C (Cal.)