N-(N-Formyl-L-alpha-Aspartyl)-3-Phenyl-L-Alanine
[CAS# 56633-51-3]

Identification

• Name: N-(N-Formyl-L-alpha-Aspartyl)-3-Phenyl-L-Alanine
• Synonyms: (3S)-3-Formamido-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Formamido-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]-3-Formamido-4-Keto-Butyric Acid
• Molecular Formula: C₁₄H₁₆N₂O₆
• Molecular Weight: 308.29
• CAS Registry Number: 56633-51-3
• EINECS: 260-299-0
• SMILES: [C@H](NC(=O)[C@@H](NC=O)CC(=O)O)(CC1=CC=CC=C1)C(=O)O
• InChI: 1S/C14H16N2O6/c17-8-15-10(7-12(18)19)13(20)16-11(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t10-,11-/m0/s1
• InChIKey: WYYUBJAMROQJSF-QWRGUYRKSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 720.943°C at 760 mmHg (Cal.)
• Flash point: 389.812°C (Cal.)