Phenylacetylcysteinylvaline
[CAS# 101770-15-4]

Identification

• Name: Phenylacetylcysteinylvaline
• Synonyms: (2R)-3-Methyl-2-[[(2R)-2-[(2-Phenylacetyl)Amino]-3-Sulfanyl-Propanoyl]Amino]Butanoic Acid; (2R)-2-[[(2R)-3-Mercapto-1-Oxo-2-[(1-Oxo-2-Phenylethyl)Amino]Propyl]Amino]-3-Methylbutanoic Acid; (2R)-2-[[(2R)-3-Mercapto-2-[(2-Phenylacetyl)Amino]Propanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₁₆H₂₂N₂O₄S
• Molecular Weight: 338.42
• CAS Registry Number: 101770-15-4
• SMILES: [C@@H](C(=O)O)(NC([C@@H](NC(=O)CC1=CC=CC=C1)CS)=O)C(C)C
• InChI: 1S/C16H22N2O4S/c1-10(2)14(16(21)22)18-15(20)12(9-23)17-13(19)8-11-6-4-3-5-7-11/h3-7,10,12,14,23H,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t12-,14+/m0/s1
• InChIKey: GHKVIBLDOGCQDR-GXTWGEPZSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 647.597°C at 760 mmHg (Cal.)
• Flash point: 345.455°C (Cal.)