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

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