(2S)-2-[[(2S)-2-Amino-4-Methylpentanoyl]Amino]-3-Nitropentanedioic Acid
[CAS# 109792-56-5]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-4-Methylpentanoyl]Amino]-3-Nitropentanedioic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-3-Nitro-Pentanedioic Acid; (2S)-2-[[(2S)-2-Amino-4-Methyl-1-Oxopentyl]Amino]-3-Nitropentanedioic Acid; (2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-3-Nitro-Glutaric Acid
• Molecular Formula: C₁₁H₁₉N₃O₇
• Molecular Weight: 305.29
• CAS Registry Number: 109792-56-5
• SMILES: [C@H](NC(=O)[C@@H](N)CC(C)C)(C([N+]([O-])=O)CC(=O)O)C(=O)O
• InChI: 1S/C11H19N3O7/c1-5(2)3-6(12)10(17)13-9(11(18)19)7(14(20)21)4-8(15)16/h5-7,9H,3-4,12H2,1-2H3,(H,13,17)(H,15,16)(H,18,19)/t6-,7?,9-/m0/s1
• InChIKey: LGJDFRQTFRTVII-LXZQMHNESA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 568.849°C at 760 mmHg (Cal.)
• Flash point: 297.829°C (Cal.)