3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2-methyl-propanoic acid
[CAS# 910898-81-6]

Identification

• Name: 3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2-methyl-propanoic acid
• Synonyms: N-Acetyl-S-(2-carboxypropyl)-L-cysteine Dicyclohexylammonium Salt (Mixture of Diastereomers)
• Molecular Formula: C₉H₁₅NO₅S
• Molecular Weight: 249.28
• CAS Registry Number: 910898-81-6
• SMILES: O=C(C)NC(CSCC(C)C(O)=O)C(O)=O
• InChI: 1S/C9H15NO5S/c1-5(8(12)13)3-16-4-7(9(14)15)10-6(2)11/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)
• InChIKey: NCVHUCCOTCVUCB-UHFFFAOYSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 562.375°C at 760 mmHg (Cal.)
• Flash point: 293.914°C (Cal.)
• Refractive index: 1.537 (Cal.)