N-(1-Carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate
[CAS# 116560-97-5]

Identification

• Name: N-(1-Carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate
• Synonyms: 4-[[(1S)-2-[[(2S)-2-[[(2S)-2-[(1-Carboxy-3-Phenyl-Propyl)Amino]Propanoyl]Amino]Propanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]Benzoic Acid; 4-[[(1S)-2-[[(2S)-2-[[(2S)-2-[(1-Carboxy-3-Phenylpropyl)Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]Benzoic Acid; 4-[[(1S)-1-(Benzyl)-2-[[(2S)-2-[[(2S)-2-[(1-Carboxy-3-Phenyl-Propyl)Amino]Propanoyl]Amino]Propanoyl]Amino]-2-Keto-Ethyl]Amino]Benzoic Acid
• Molecular Formula: C₃₂H₃₆N₄O₇
• Molecular Weight: 588.66
• CAS Registry Number: 116560-97-5
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC(CCC1=CC=CC=C1)C(=O)O)C)=O)C)=O)(NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3
• InChI: 1S/C32H36N4O7/c1-20(33-26(32(42)43)18-13-22-9-5-3-6-10-22)28(37)34-21(2)29(38)36-30(39)27(19-23-11-7-4-8-12-23)35-25-16-14-24(15-17-25)31(40)41/h3-12,14-17,20-21,26-27,33,35H,13,18-19H2,1-2H3,(H,34,37)(H,40,41)(H,42,43)(H,36,38,39)/t20-,21-,26?,27-/m0/s1
• InChIKey: UZKWDJFXHHHJFU-FFXSJNGMSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 900.366°C at 760 mmHg (Cal.)
• Flash point: 498.323°C (Cal.)