(Benzoylamino)Methyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate

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Properties Simple | Detailed

Formula C24H25N3O5S
IUPAC Name benzamidomethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 467.537 g·mol−1
Heat of Formation -550.3 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 549.47 Å 3
Surface Area 459.04 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [(oxo-phenylmethyl)amino]methyl ester
  • (2s,5r,6r)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (benzoylamino)methyl ester
  • (phenylcarbonylamino)methyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2s-(2alpha,5alpha,6beta))-, (benzoylamino)methyl ester
  • benzamidomethyl benzylpenicillinate
  • benzylpenicillin-benzamidomethyl ester
  • fi 7303
  • fi-7303
CAS Number(s)
  • 51164-29-5
InChIKey VBKUADJCSIVGOW-XQBPLPMBSA-N
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