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

CAS Registry Number®

10209-09-3
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CAS Name

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

Molecular Formula

C29H28N2O6S

Molecular Mass

532.61

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl 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=10209-09-3 (retrieved 2024-09-20) (CAS RN: 10209-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)/t23-,25+,27-,38?/m1/s1

InChIKey

InChIKey=LCRVLXSXMGVJHV-KWNWCNBBSA-N

SMILES

C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@@]([C@H](NC(COC5=CC=CC=C5)=O)C4=O)(S(=O)C3(C)C)[H]

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3N4C(=O)C(NC(=O)COC=5C=CC=CC5)C4S(=O)C3(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)-
  • Penicillin V, diphenylmethyl ester, S-oxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-, diphenylmethyl ester, 4-oxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, [2S-(2α,5α,6β)]-
  • Benzhydrol, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide