(2S)-3-(3,4-Dihydroxyphenyl)-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Propanoic Acid
[CAS# 37166-12-4]

Identification

• Name: (2S)-3-(3,4-Dihydroxyphenyl)-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Propanoic Acid
• Synonyms: (2S)-3-(3,4-Dihydroxyphenyl)-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Propanoic Acid; (2S)-3-(3,4-Dihydroxyphenyl)-2-(Pyroglutamoylamino)Propionic Acid; (2S)-3-(3,4-Dihydroxyphenyl)-2-[[(2S)-5-Oxopyrrolidin-2-Yl]Carbonylamino]Propanoic Acid
• Molecular Formula: C₁₄H₁₆N₂O₆
• Molecular Weight: 308.29
• CAS Registry Number: 37166-12-4
• SMILES: [C@@H]1(NC(=O)CC1)C(=O)N[C@@H](CC2=CC(=C(O)C=C2)O)C(=O)O
• InChI: 1S/C14H16N2O6/c17-10-3-1-7(6-11(10)18)5-9(14(21)22)16-13(20)8-2-4-12(19)15-8/h1,3,6,8-9,17-18H,2,4-5H2,(H,15,19)(H,16,20)(H,21,22)/t8-,9-/m0/s1
• InChIKey: MBUXBVZUMQTNKP-IUCAKERBSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 787.064°C at 760 mmHg (Cal.)
• Flash point: 429.801°C (Cal.)