Z-L-aspartic acid β-tert-butyl ester monohydrate
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Z-L-aspartic acid β-tert-butyl ester monohydrate

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Category
CBZ-Amino Acids
Catalog number
BAT-003331
CAS number
229957-50-0
Molecular Formula
C16H21NO6·H2O
Molecular Weight
341.30
Z-L-aspartic acid β-tert-butyl ester monohydrate
IUPAC Name
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid;hydrate
Alternative CAS
5545-52-8
Synonyms
Z-L-Asp(OtBu)-OH H2O; (S)-2-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid hydrate
Appearance
White to off-white powder
Purity
≥ 99% (HPLC)
Density
1.219 g/cm3
Melting Point
52-58 °C
Boiling Point
513.1°C
Storage
Store at 2-8 °C
InChI
InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m0./s1
InChI Key
UWDOQNWFLPMMLQ-YDALLXLXSA-N
Canonical SMILES
CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.O
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