Deacetoxycephalosporin C

CAS Registry Number®

26924-74-3
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CAS Name

Deacetoxycephalosporin C

Molecular Formula

C14H19N3O6S

Molecular Mass

357.38

Cite this Page

Deacetoxycephalosporin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26924-74-3 (retrieved 2024-09-06) (CAS RN: 26924-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1

InChIKey

InChIKey=NNQIJOYQWYKBOW-JWKOBGCHSA-N

SMILES

N(C(CCC[C@H](C(O)=O)N)=O)[C@H]1[C@@]2(N(C1=O)C(C(O)=O)=C(C)CS2)[H]

Canonical SMILES

O=C(O)C1=C(C)CSC2N1C(=O)C2NC(=O)CCCC(N)C(=O)O

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-methyl-8-oxo-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(5-amino-5-carboxy-1-oxopentyl)amino]-3-methyl-8-oxo-, [6R-[6α,7β(R*)]]-
  • (6R,7R)-7-[[(5R)-5-Amino-5-carboxy-1-oxopentyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Deacetoxycephalosporin C

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