Methyl N-{(2S)-3-Methyl-1-[(2-Methyl-2-Propanyl)Amino]-1-Oxo-2-Butanyl}-L-Isoleucinate
[CAS# 169453-09-2]

Identification

• Name: Methyl N-{(2S)-3-Methyl-1-[(2-Methyl-2-Propanyl)Amino]-1-Oxo-2-Butanyl}-L-Isoleucinate
• Synonyms: (2S,3S)-methyl 2-(((S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl)amino)-3-methylpentanoate
• Molecular Formula: C₁₆H₃₂N₂O₃
• Molecular Weight: 300.44
• CAS Registry Number: 169453-09-2
• SMILES: CC[C@H](C)[C@@H](C(=O)OC)N[C@@H](C(C)C)C(=O)NC(C)(C)C
• InChI: 1S/C16H32N2O3/c1-9-11(4)13(15(20)21-8)17-12(10(2)3)14(19)18-16(5,6)7/h10-13,17H,9H2,1-8H3,(H,18,19)/t11-,12-,13-/m0/s1
• InChIKey: FPLRZWHHDCLXPQ-AVGNSLFASA-N

Properties

• Density: 0.962g/cm³ (Cal.)
• Boiling point: 412.823°C at 760 mmHg (Cal.)
• Flash point: 203.468°C (Cal.)
• Refractive index: 1.456 (Cal.)