N-(1-Carboxy-2-Phenylethyl)Phenylalanine 4-Aminobenzoate
[CAS# 91237-20-6]

Identification

• Name: N-(1-Carboxy-2-Phenylethyl)Phenylalanine 4-Aminobenzoate
• Synonyms: 2-[[4-[(2S)-3-Hydroxy-2-[[2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-Oxo-Propyl]Phenyl]Amino]Benzoate; 2-[[4-[(2S)-3-Hydroxy-2-[[2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-Oxopropyl]Phenyl]Amino]Benzoate; 2-[[4-[(2S)-2-[[1-(Benzyl)-2-Hydroxy-2-Keto-
• Molecular Formula: C₂₅H₂₃N₂O₆
• Molecular Weight: 447.47
• CAS Registry Number: 91237-20-6
• SMILES: [C@H](C(=O)O)(NC(CC1=CC=CC=C1)C(=O)O)CC3=CC=C(NC2=CC=CC=C2C(=O)[O-])C=C3
• InChI: 1S/C25H24N2O6/c28-23(29)19-8-4-5-9-20(19)26-18-12-10-17(11-13-18)15-22(25(32)33)27-21(24(30)31)14-16-6-2-1-3-7-16/h1-13,21-22,26-27H,14-15H2,(H,28,29)(H,30,31)(H,32,33)/p-1/t21?,22-/m0/s1
• InChIKey: PENOWLRGYBCUSJ-KEKNWZKVSA-M

Properties

• Boiling point: 697.004°C at 760 mmHg (Cal.)
• Flash point: 375.335°C (Cal.)