Benzylpenicilloic acid

CAS Registry Number®

13057-98-2

CAS Name

Benzylpenicilloic acid

Molecular Formula

C16H20N2O5S

Molecular Mass

352.41

Cite this Page

Benzylpenicilloic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13057-98-2 (retrieved 2024-11-22) (CAS RN: 13057-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)

InChIKey

InChIKey=HCYWNSXLUZRKJX-UHFFFAOYSA-N

SMILES

C(NC(CC1=CC=CC=C1)=O)(C(O)=O)C2NC(C(O)=O)C(C)(C)S2

Canonical SMILES

O=C(O)C(NC(=O)CC=1C=CC=CC1)C2SC(C)(C)C(N2)C(=O)O

Other Names for this Substance

  • 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-[(2-phenylacetyl)amino]-
  • 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-[(phenylacetyl)amino]-
  • 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-(2-phenylacetamido)-
  • 4-Carboxy-5,5-dimethyl-α-[(2-phenylacetyl)amino]-2-thiazolidineacetic acid
  • Benzylpenicilloic acid

Deleted or Replaced CAS Registry Numbers

493-39-0, 16883-22-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration