L-alpha-Aspartyl-L-Phenylalanine
[CAS# 13433-09-5]

Identification

• Name: L-alpha-Aspartyl-L-Phenylalanine
• Synonyms: (3S)-3-Azaniumyl-4-[[(1S)-2-Oxido-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoate; (3S)-3-Ammonio-4-[[(1S)-2-Oxido-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoate; (3S)-3-Ammonio-4-[[(1S)-1-(Benzyl)-2-Keto-2-Oxido-Ethyl]Amino]-4-Keto-Butyrate
• Molecular Formula: C₁₃H₁₅N₂O₅
• Molecular Weight: 279.27
• CAS Registry Number: 13433-09-5
• EINECS: 236-557-3
• SMILES: [C@H](NC(=O)[C@@H]([NH3+])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)/p-1/t9-,10-/m0/s1
• InChIKey: YZQCXOFQZKCETR-UWVGGRQHSA-M

Properties

• Boiling point: 601.677°C at 760 mmHg (Cal.)
• Flash point: 317.683°C (Cal.)