2-[[(2R)-2-(Benzoylamino)-1-oxopropyl]thio]-Acetic acid
[CAS# 138079-74-0]

Identification

• Name: 2-[[(2R)-2-(Benzoylamino)-1-oxopropyl]thio]-Acetic acid
• Synonyms: (4S)-4-Amino-2-(Benzoyl)-3-Oxo-2-Sulfanyl-Pentanoate; (4S)-4-Amino-2-Mercapto-3-Oxo-2-(Oxo-Phenylmethyl)Pentanoate; (4S)-4-Amino-2-(Benzoyl)-3-Keto-2-Mercapto-Valerate
• Molecular Formula: C₁₂H₁₂NO₄S
• Molecular Weight: 266.29
• CAS Registry Number: 138079-74-0
• SMILES: [C@@H](N)(C(=O)C(S)(C(=O)C1=CC=CC=C1)C([O-])=O)C
• InChI: 1S/C12H13NO4S/c1-7(13)9(14)12(18,11(16)17)10(15)8-5-3-2-4-6-8/h2-7,18H,13H2,1H3,(H,16,17)/p-1/t7-,12?/m0/s1
• InChIKey: QVQSCEBREHLSGI-KAJCPDDVSA-M

Properties

• Boiling point: 432.995°C at 760 mmHg (Cal.)
• Flash point: 215.668°C (Cal.)