1-({(Z)-[1-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2R,3S)-2-(Fluoromethyl)-4-Oxo-1-Sulfo-3-Azetidinyl]Amino}-2-Oxoethylidene]Amino}Oxy)Cyclopropanecarboxylic Acid

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Properties Simple | Detailed

Formula C13H14FN5O8S2
IUPAC Name 1-[(z)-[1-(2-aminothiazol-4-yl)-2-[[(2r,3s)-2-(fluoromethyl)-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclopropanecarboxylic acid
Molecular Mass 451.407 g·mol−1
Heat of Formation -1021.7 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 461.5 Å 3
Surface Area 396.73 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2r,3s)-2-(fluoromethyl)-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclopropane-1-carboxylic acid
  • 1-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2r,3s)-2-(fluoromethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
  • 1-[[1-(2-amino-4-thiazolyl)-2-[[(2r,3s)-2-(fluoromethyl)-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-1-cyclopropanecarboxylic acid
  • 1-[[1-(2-aminothiazol-4-yl)-2-[[(2r,3s)-2-(fluoromethyl)-4-keto-1-sulfo-azetidin-3-yl]amino]-2-keto-ethylidene]amino]oxycyclopropane-1-carboxylic acid
  • 1-[[1-(2-aminothiazol-4-yl)-2-[[(2r,3s)-2-(fluoromethyl)-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclopropane-1-carboxylic acid
  • 3-(2-(2-amino-4-thiazolyl)-2-(1-carboxy-1-cyclopropoxyimino)acetamido)-4-fluoromethyl-2-oxo-1-azetidine sulfonic acid
  • bo 1165
  • bo-1165
  • cyclopropanecarboxylic acid, 1-(((1-(2-amino-4-thiazolyl)-2-((2-(fluoromethyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)-, (2r-(2alpha,3beta(z)))-
CAS Number(s)
  • 89426-64-2
InChIKey VOGCYJSPKJJBEE-GVQCVHRPSA-N
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