2-Methyl-2-Propanyl (3S)-3-{[(Benzyloxy)Carbonyl]Amino}-5-Bromo-4-Oxopentanoate
[CAS# 153088-76-7]

Identification

• Name: 2-Methyl-2-Propanyl (3S)-3-{[(Benzyloxy)Carbonyl]Amino}-5-Bromo-4-Oxopentanoate
• Synonyms: Z-Asp(OtBu)-bromomethyl ketone; Z-ASP(OTBU)-BROMOMETHYLKETONE; Z-L-aspartic acid 4-tert-butyl ester 1-bromomethyl ketone
• Molecular Formula: C₁₇H₂₂BrNO₅
• Molecular Weight: 400.26
• CAS Registry Number: 153088-76-7
• SMILES: O=C(OC(C)(C)C)C[C@@H](C(=O)CBr)NC(=O)OCc1ccccc1
• InChI: 1S/C17H22BrNO5/c1-17(2,3)24-15(21)9-13(14(20)10-18)19-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,22)/t13-/m0/s1
• InChIKey: PBVFTOAYKLEQQO-ZDUSSCGKSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 520.176°C at 760 mmHg (Cal.)
• Flash point: 268.393°C (Cal.)
• Refractive index: 1.533 (Cal.)