S)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

CAS Registry Number®

270065-86-6
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CAS Name

S)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Molecular Formula

C16H20N2O4

Molecular Mass

304.34

Cite this Page

S)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=270065-86-6 (retrieved 2024-04-29) (CAS RN: 270065-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(9-14(19)20)8-11-5-4-6-12(7-11)10-17/h4-7,13H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1

InChIKey

InChIKey=CYGNMSRSGBBZOE-ZDUSSCGKSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1)CC(NC(=O)OC(C)(C)C)CC(=O)O

Other Names for this Substance

  • Benzenebutanoic acid, 3-cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • S)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

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