1,2,3,4-Tetrahydro-4-[2-(1-carboxy-3-carbamoylpropylimino)ethylidene]-2,6-pyridinedicarboxylic acid
[CAS# 904-62-1]

Identification

• Name: 1,2,3,4-Tetrahydro-4-[2-(1-carboxy-3-carbamoylpropylimino)ethylidene]-2,6-pyridinedicarboxylic acid
• Synonyms: (2S)-4-[(E)-2-[[(1S)-4-Amino-1-Carboxy-4-Oxo-Butyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; (2S)-4-[(E)-2-[[(1S)-4-Amino-1-Carboxy-4-Oxobutyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; (2S)-4-[(E)-2-[[(1S)-4-Amino-1-Carboxy-4-Ket
• Molecular Formula: C₁₄H₁₇N₃O₇
• Molecular Weight: 339.30
• CAS Registry Number: 904-62-1
• SMILES: [C@H](N/C=C/C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O)(CCC(=O)N)C(O)=O
• InChI: 1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b4-3+/t8-,10-/m0/s1
• InChIKey: AVPNZDGHYJHSHV-PVXSWLFQSA-N

Properties

• Density: 1.566g/cm³ (Cal.)
• Boiling point: 785.926°C at 760 mmHg (Cal.)
• Flash point: 429.113°C (Cal.)