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

CAS Registry Number®

29126-12-3
No image available.

CAS Name

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

Molecular Formula

C29H26N2O4S

Molecular Mass

498.59

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29126-12-3 (retrieved 2024-08-21) (CAS RN: 29126-12-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H26N2O4S/c1-19-18-36-28-24(30-23(32)17-20-11-5-2-6-12-20)27(33)31(28)25(19)29(34)35-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24-,28-/m1/s1

InChIKey

InChIKey=KRSQRWDTNJRUNK-UFHPHHKVSA-N

SMILES

C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C=3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3C)[H]

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(C)CSC4N3C(=O)C4NC(=O)CC=5C=CC=CC5

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(2-phenylacetamido)-, diphenylmethyl ester
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-
  • Benzhydrol, 3-methyl-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Deleted or Replaced CAS Registry Numbers

124987-14-0