(2S)-2-[[(2R)-2-Amino-3-Sulfanylpropanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
[CAS# 1089-23-2]

Identification

• Name: (2S)-2-[[(2R)-2-Amino-3-Sulfanylpropanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
• Synonyms: (2S)-2-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₁₂H₁₆N₂O₄S
• Molecular Weight: 284.33
• CAS Registry Number: 1089-23-2
• SMILES: [C@H](C(=O)O)(NC([C@@H](N)CS)=O)CC1=CC=C(O)C=C1
• InChI: 1S/C12H16N2O4S/c13-9(6-19)11(16)14-10(12(17)18)5-7-1-3-8(15)4-2-7/h1-4,9-10,15,19H,5-6,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1
• InChIKey: DSTWKJOBKSMVCV-UWVGGRQHSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 592.619°C at 760 mmHg (Cal.)
• Flash point: 312.205°C (Cal.)