5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-

CAS Registry Number®

63836-75-9

CAS Name

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-

Molecular Formula

C22H27N3O6S

Molecular Mass

461.53

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63836-75-9 (retrieved 2024-11-08) (CAS RN: 63836-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27N3O6S/c1-12-10-32-19-15(24-17(26)14(23)13-8-6-5-7-9-13)18(27)25(19)16(12)20(28)30-11-31-21(29)22(2,3)4/h5-9,14-15,19H,10-11,23H2,1-4H3,(H,24,26)/t14-,15-,19-/m1/s1

InChIKey

InChIKey=DIGADQKVPFDJSI-SPYBWZPUSA-N

SMILES

C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C2=O)(SCC1C)[H]

Canonical SMILES

O=C(OCOC(=O)C(C)(C)C)C1=C(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, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [6R-[6α,7β(R*)]]-
  • Cephalexin pivaloxymethyl ester

CAS INSIGHTSTM
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