Benzyl (3S)-5-Chloro-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxopentanoate
[CAS# 172702-58-8]

Identification

• Name: Benzyl (3S)-5-Chloro-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxopentanoate
• Synonyms: (S)-benzyl 3-(tert-butoxycarbonylamino)-5-chloro-4-oxopentanoate; Boc-L-aspartic acid β-benzyl ester chloromethylketone; ZINC02567654
• Molecular Formula: C₁₇H₂₂ClNO₅
• Molecular Weight: 355.81
• CAS Registry Number: 172702-58-8
• SMILES: ClCC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1
• InChI: 1S/C17H22ClNO5/c1-17(2,3)24-16(22)19-13(14(20)10-18)9-15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,22)/t13-/m0/s1
• InChIKey: BKSBJYSNALKVEA-ZDUSSCGKSA-N
• Protein Sequence: Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 500.121°C at 760 mmHg (Cal.)
• Flash point: 256.264°C (Cal.)
• Refractive index: 1.517 (Cal.)