Takacillin

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Properties Simple | Detailed

Formula C21H23N3O7S
IUPAC Name (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2s,5r,6r)-6-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 461.488 g·mol−1
Heat of Formation -904.4 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 519.33 Å 3
Surface Area 392.07 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-[[(2r)-2-amino-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
  • (2s,5r,6r)-6-[[(2r)-2-amino-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2-keto-5-methyl-1,3-dioxol-4-yl)methyl ester
  • (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2s,5r,6r)-6-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2s,5r,6r)-6-[[(2r)-2-amino-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2s,5r,6r)-6-[[(2r)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 2,3-dihydroxy-2-butenyl(2s,5r,6r)-6-((r)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, cyclic carbonate
  • lenampicilina [spanish]
  • lenampicillin
  • lenampicillinum [latin]
CAS Number(s)
  • 86273-18-9
InChIKey ZKUKMWMSYCIYRD-ZXFNITATSA-N
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