(2S)-2-[[(2S,3S)-1,3-Diamino-4-Methyl-1-Oxopentan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid
[CAS# 134359-69-6]

Identification

• Name: (2S)-2-[[(2S,3S)-1,3-Diamino-4-Methyl-1-Oxopentan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid
• Synonyms: (2S)-2-[[(1S,2S)-2-Amino-1-Carbamoyl-3-Methyl-Butyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid; (2S)-2-[[(1S,2S)-2-Amino-1-Carbamoyl-3-Methylbutyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid; (2S)-2-[[(1S,2S)-2-Amino-1-Carbamoyl-3-Methyl-Butyl]Amino]-3-(3H-Imidazol-4-Yl)Propionic Acid
• Molecular Formula: C₁₂H₂₁N₅O₃
• Molecular Weight: 283.33
• CAS Registry Number: 134359-69-6
• SMILES: [C@H](C(=O)O)(N[C@@H]([C@H](C(C)C)N)C(=O)N)CC1=CN=C[NH]1
• InChI: 1S/C12H21N5O3/c1-6(2)9(13)10(11(14)18)17-8(12(19)20)3-7-4-15-5-16-7/h4-6,8-10,17H,3,13H2,1-2H3,(H2,14,18)(H,15,16)(H,19,20)/t8-,9-,10-/m0/s1
• InChIKey: DSVCFDBACLPEHY-GUBZILKMSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 620.898°C at 760 mmHg (Cal.)
• Flash point: 329.307°C (Cal.)