Mezlocillin

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Properties Simple | Detailed

Formula C21H25N5O8S2
IUPAC Name (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 539.582 g·mol−1
Heat of Formation -1198.2 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 594.85 Å 3
Surface Area 472.17 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-[(3-methylsulfonyl-2-oxo-imidazolidin-1-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-6-{[(2r)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-7-keto-6-[[(2r)-2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • d05021
  • mezlocillin (usan)
CAS Number(s)
  • 51481-65-3
InChIKey YPBATNHYBCGSSN-VWPFQQQWSA-N
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