Almecillin

CAS Registry Number®

87-09-2

CAS Name

Almecillin

Molecular Formula

C13H18N2O4S2

Molecular Mass

330.42

Cite this Page

Almecillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87-09-2 (retrieved 2024-11-22) (CAS RN: 87-09-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1

InChIKey

InChIKey=QULKGELYPOJSLP-WCABBAIRSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CSCC=C)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)CSCC=C)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[2-(2-propenylthio)acetyl]amino]-, (2S,5R,6R)-
  • Penicillin O
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2-propenylthio)acetyl]amino]-, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-(allylthio)acetamido]-3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2-propenylthio)acetyl]amino]-, (2S,5R,6R)-

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Deleted or Replaced CAS Registry Numbers

95866-81-2, 856653-53-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration