4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, (4-methoxyphenyl)methyl ester, 4-oxide, (2S,5R,6R)-

CAS Registry Number®

53956-74-4
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CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, (4-methoxyphenyl)methyl ester, 4-oxide, (2S,5R,6R)-

Molecular Formula

C24H26N2O6S

Molecular Mass

470.54

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, (4-methoxyphenyl)methyl ester, 4-oxide, (2S,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53956-74-4 (retrieved 2024-07-06) (CAS RN: 53956-74-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H26N2O6S/c1-24(2)20(23(29)32-14-16-9-11-17(31-3)12-10-16)26-21(28)19(22(26)33(24)30)25-18(27)13-15-7-5-4-6-8-15/h4-12,19-20,22H,13-14H2,1-3H3,(H,25,27)/t19-,20+,22-,33?/m1/s1

InChIKey

InChIKey=HSSBYPUKMZQQKS-LPGANTDJSA-N

SMILES

C(OCC1=CC=C(OC)C=C1)(=O)[C@@H]2N3[C@@]([C@H](NC(CC4=CC=CC=C4)=O)C3=O)(S(=O)C2(C)C)[H]

Canonical SMILES

O=C(OCC1=CC=C(OC)C=C1)C2N3C(=O)C(NC(=O)CC=4C=CC=CC4)C3S(=O)C2(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, (4-methoxyphenyl)methyl ester, 4-oxide, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-, (4-methoxyphenyl)methyl ester, 4-oxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, (4-methoxyphenyl)methyl ester, 4-oxide
  • Benzylpenicillin sulfoxide p-methoxybenzyl ester
  • Penicillin G sulfoxide p-methoxybenzyl ester