N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine

CAS Registry Number®

82717-96-2

CAS Name

N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine

Molecular Formula

C15H21NO4

Molecular Mass

279.33

Cite this Page

N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82717-96-2 (retrieved 2024-11-22) (CAS RN: 82717-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147-148 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1

InChIKey

InChIKey=CEIWXEQZZZHLDM-AAEUAGOBSA-N

SMILES

[C@@H](CCC1=CC=CC=C1)(N[C@H](C(O)=O)C)C(OCC)=O

Canonical SMILES

O=C(O)C(NC(C(=O)OCC)CCC=1C=CC=CC1)C

Other Names for this Substance

  • Benzenebutanoic acid, α-[[(1S)-1-carboxyethyl]amino]-, 1-ethyl ester, (αS)-
  • Benzenebutanoic acid, α-[(1-carboxyethyl)amino]-, monoethyl ester, [S-(R*,R*)]-
  • Benzenebutanoic acid, α-[[(1S)-1-carboxyethyl]amino]-, monoethyl ester, (αS)-
  • N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine
  • N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine

Deleted or Replaced CAS Registry Numbers

116308-25-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration