(2R)-2-[(3-Hydroxy-3-Oxopropanoyl)Amino]-3-(Phenylmethylsulfanyl)Propanoic Acid
[CAS# 134283-03-7]

Identification

• Name: (2R)-2-[(3-Hydroxy-3-Oxopropanoyl)Amino]-3-(Phenylmethylsulfanyl)Propanoic Acid
• Synonyms: (2R)-2-[(3-Hydroxy-3-Oxo-Propanoyl)Amino]-3-(Phenylmethylsulfanyl)Propanoic Acid; (2R)-2-[(3-Hydroxy-1,3-Dioxopropyl)Amino]-3-(Phenylmethylthio)Propanoic Acid; (2R)-3-(Benzylthio)-2-[(3-Hydroxy-3-Keto-Propanoyl)Amino]Propionic Acid
• Molecular Formula: C₁₃H₁₅NO₅S
• Molecular Weight: 297.33
• CAS Registry Number: 134283-03-7
• SMILES: [C@@H](NC(=O)CC(=O)O)(C(=O)O)CSCC1=CC=CC=C1
• InChI: 1S/C13H15NO5S/c15-11(6-12(16)17)14-10(13(18)19)8-20-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1
• InChIKey: ULAXDBZXDGZCSO-JTQLQIEISA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 623.179°C at 760 mmHg (Cal.)
• Flash point: 330.687°C (Cal.)