Cephaloglycin

CAS Registry Number®

3577-01-3

CAS Name

Cephaloglycin

Molecular Formula

C18H19N3O6S

Molecular Mass

405.42

Cite this Page

Cephaloglycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3577-01-3 (retrieved 2024-11-22) (CAS RN: 3577-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1

InChIKey

InChIKey=FUBBGQLTSCSAON-PBFPGSCMSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C2=O)(SCC1COC(C)=O)[H]

Canonical SMILES

O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)C(N)C=3C=CC=CC3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), D-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-aminophenylacetyl]amino]-8-oxo-, (6R,7R)-
  • (6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

15686-39-2, 26790-39-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration