(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Registry Number®

51818-85-0
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CAS Name

(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C18H18N2O7S

Molecular Mass

406.41

Cite this Page

(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51818-85-0 (retrieved 2024-09-10) (CAS RN: 51818-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18N2O7S/c1-9(21)27-7-11-8-28-17-12(16(24)20(17)13(11)18(25)26)19-15(23)14(22)10-5-3-2-4-6-10/h2-6,12,14,17,22H,7-8H2,1H3,(H,19,23)(H,25,26)/t12-,14-,17-/m1/s1

InChIKey

InChIKey=CNAGMNMBHMQZPF-SUYBPPKGSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC([C@H](O)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(O)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-hydroxy-2-phenylacetyl]amino]-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(hydroxyphenylacetyl)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)-hydroxyphenylacetyl]amino]-8-oxo-, (6R,7R)-
  • (6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R,2′R)-3-Acetoxymethyl-7-(2′-hydroxy-2′-phenylacetamido)ceph-3-em-4-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

856570-33-7