Clometocillin

CAS Registry Number®

1926-49-4

CAS Name

Clometocillin

Molecular Formula

C17H18Cl2N2O5S

Molecular Mass

433.31

Cite this Page

Clometocillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1926-49-4 (retrieved 2024-11-21) (CAS RN: 1926-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1

InChIKey

InChIKey=JKXQBIZCQJLVOS-GSNLGQFWSA-N

SMILES

N(C(C(OC)C1=CC(Cl)=C(Cl)C=C1)=O)[C@H]2[C@@]3(N([C@@H](C(O)=O)C(C)(C)S3)C2=O)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(OC)C3=CC=C(Cl)C(Cl)=C3)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-(3,4-dichlorophenyl)-2-methoxyacetamido]-3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(3,4-dichlorophenyl)methoxyacetyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(3,4-dichlorophenyl)methoxyacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • (2S,5R,6R)-6-[[2-(3,4-Dichlorophenyl)-2-methoxyacetyl]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

96505-61-2, 16110-31-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration