L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1)

CAS Registry Number®

229957-50-0
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CAS Name

L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1)

Molecular Formula

C16H21NO6.H2O

Cite this Page

L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=229957-50-0 (retrieved 2024-07-02) (CAS RN: 229957-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=UWDOQNWFLPMMLQ-YDALLXLXSA-N

SMILES

C(OC(N[C@@H](CC(OC(C)(C)C)=O)C(O)=O)=O)C1=CC=CC=C1.O

Canonical SMILES

O=C(OCC=1C=CC=CC1)NC(C(=O)O)CC(=O)OC(C)(C)C.O

Other Names for this Substance

  • L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1)
  • L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, monohydrate
  • (S)-2-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid hydrate