(2S)-5-Amino-2-[(3,4-dihydroxyphenyl)amino]-5-oxopentanoic acid
[CAS# 58298-77-4]

Identification

• Name: (2S)-5-Amino-2-[(3,4-dihydroxyphenyl)amino]-5-oxopentanoic acid
• Synonyms: (2S)-5-Amino-2-[(3,4-Dihydroxyphenyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-5-Amino-2-[(3,4-Dihydroxyphenyl)Amino]-5-Keto-Valeric Acid; 3,4-Dihydroxy-(Gamma-1-Glutamyl)Anilide
• Molecular Formula: C₁₁H₁₄N₂O₅
• Molecular Weight: 254.24
• CAS Registry Number: 58298-77-4
• SMILES: [C@H](NC1=CC=C(C(=C1)O)O)(CCC(=O)N)C(=O)O
• InChI: 1S/C11H14N2O5/c12-10(16)4-2-7(11(17)18)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,13-15H,2,4H2,(H2,12,16)(H,17,18)/t7-/m0/s1
• InChIKey: SGMDQKBASJSDDV-ZETCQYMHSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 713.281°C at 760 mmHg (Cal.)
• Flash point: 385.179°C (Cal.)