Fomidacillin

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Formula C24H28N6O10S
IUPAC Name (2s,5r,6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 592.578 g·mol−1
Heat of Formation -1477.5 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 654.34 Å 3
Surface Area 518.05 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-((r)-2-(3,4-dihydroxyphenyl)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)acetamido)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazin-1-yl)carbonylamino]ethanoyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • fomidacilina [spanish]
  • fomidacillin [ban:inn]
  • fomidacillinum [latin]
  • fornidacillin
CAS Number(s)
  • 98048-07-8
InChIKey BLHZPPIRNRDRSC-HSDAMQNGSA-N
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