(3S)-3-Amino-4-[[(2S)-1-Hydroxy-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 76022-68-9]

Identification

• Name: (3S)-3-Amino-4-[[(2S)-1-Hydroxy-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₃H₁₆N₂O₅
• Molecular Weight: 280.28
• CAS Registry Number: 76022-68-9
• SMILES: [C@H](NC(=O)[C@@H](N)CC(=O)O)(CC1=CC=CC=C1)C(=O)O
• InChI: 1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1
• InChIKey: YZQCXOFQZKCETR-UWVGGRQHSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 601.677°C at 760 mmHg (Cal.)
• Flash point: 317.683°C (Cal.)