(S)-2-(((4-Amino-1-Carboxy-4-Oxobutyl)Amino)Carbonyl)Benzoic Acid
[CAS# 17283-87-3]

Identification

• Name: (S)-2-(((4-Amino-1-Carboxy-4-Oxobutyl)Amino)Carbonyl)Benzoic Acid
• Synonyms: 2-[[(1S)-4-Amino-1-Carboxy-4-Oxo-Butyl]Carbamoyl]Benzoic Acid; 2-[[[(1S)-4-Amino-1-Carboxy-4-Oxobutyl]Amino]-Oxomethyl]Benzoic Acid; 2-[[(1S)-4-Amino-1-Carboxy-4-Keto-Butyl]Carbamoyl]Benzoic Acid
• Molecular Formula: C₁₃H₁₄N₂O₆
• Molecular Weight: 294.26
• CAS Registry Number: 17283-87-3
• SMILES: [C@H](NC(C1=CC=CC=C1C(=O)O)=O)(CCC(=O)N)C(=O)O
• InChI: 1S/C13H14N2O6/c14-10(16)6-5-9(13(20)21)15-11(17)7-3-1-2-4-8(7)12(18)19/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)(H,20,21)/t9-/m0/s1
• InChIKey: ZIMWCUUEMGFXNW-VIFPVBQESA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 724.592°C at 760 mmHg (Cal.)
• Flash point: 392.019°C (Cal.)