(R)-4-(Acetylamino)-5-((4-Nitrophenyl)Amino)-5-Oxo-Pentanoic Acid
[CAS# 41149-12-6]

Identification

• Name: (R)-4-(Acetylamino)-5-((4-Nitrophenyl)Amino)-5-Oxo-Pentanoic Acid
• Synonyms: (4R)-4-Acetamido-5-[(4-Nitrophenyl)Amino]-5-Oxo-Pentanoic Acid; (4R)-4-Acetamido-5-Keto-5-[(4-Nitrophenyl)Amino]Valeric Acid; Agna
• Molecular Formula: C₁₃H₁₅N₃O₆
• Molecular Weight: 309.28
• CAS Registry Number: 41149-12-6
• SMILES: [C@H](NC(=O)C)(C(=O)NC1=CC=C([N+]([O-])=O)C=C1)CCC(=O)O
• InChI: 1S/C13H15N3O6/c1-8(17)14-11(6-7-12(18)19)13(20)15-9-2-4-10(5-3-9)16(21)22/h2-5,11H,6-7H2,1H3,(H,14,17)(H,15,20)(H,18,19)/t11-/m1/s1
• InChIKey: SDTVKGSMFQVLAM-LLVKDONJSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 716.396°C at 760 mmHg (Cal.)
• Flash point: 387.062°C (Cal.)