Benzylpenicillenic acid

CAS Registry Number®

3264-88-8

CAS Name

Benzylpenicillenic acid

Molecular Formula

C16H18N2O4S

Molecular Mass

334.39

Cite this Page

Benzylpenicillenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3264-88-8 (retrieved 2025-07-30) (CAS RN: 3264-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)

InChIKey

InChIKey=WGIWOHWWPXKJMS-UHFFFAOYSA-N

SMILES

C(C1=NC(=CNC(C(C)(C)S)C(O)=O)C(=O)O1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C(NC=C1N=C(OC1=O)CC=2C=CC=CC2)C(S)(C)C

Other Names for this Substance

  • Valine, 3-mercapto-N-[[5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene]methyl]-
  • Valine, N-[(2-benzyl-5-oxo-2-oxazolin-4-ylidene)methyl]-3-mercapto-
  • 3-Mercapto-N-[[5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene]methyl]valine
  • 2-Benzylpenicillenic acid
  • Penicillenic acid, 2-(phenylmethyl)-

View All

Deleted or Replaced CAS Registry Numbers

32347-08-3

CAS INSIGHTSTM
This is the vasculature of an actual heart (porcine heart, identical to human heart).