Carfecillin

CAS Registry Number®

27025-49-6

CAS Name

Carfecillin

Molecular Formula

C23H22N2O6S

Molecular Mass

454.50

Cite this Page

Carfecillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27025-49-6 (retrieved 2024-11-22) (CAS RN: 27025-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1

InChIKey

InChIKey=NZDASSHFKWDBBU-KVMCETHSSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(C(C(OC3=CC=CC=C3)=O)C4=CC=CC=C4)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(C(=O)OC=3C=CC=CC3)C=4C=CC=CC4)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-2-phenyl-, 1-phenyl ester
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1,3-dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-carboxy-2-phenylacetamido)-3,3-dimethyl-7-oxo-, 6-phenyl ester
  • (2S,5R,6R)-6-[(1,3-Dioxo-3-phenoxy-2-phenylpropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

47659-51-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration