1-({(E)-[1-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2S,3S)-2-(Fluoromethyl)-4-Oxo-1-(2H-Tetrazol-5-Yl)-3-Azetidinyl]Amino}-2-Oxoethylidene]Amino}Oxy)Cyclobutanecarboxylic Acid

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Properties Simple | Detailed

Formula C15H16FN9O5S
IUPAC Name 1-[(e)-[1-(2-aminothiazol-4-yl)-2-[[(2s,3s)-2-(fluoromethyl)-4-oxo-1-(2h-tetrazol-5-yl)azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclobutanecarboxylic acid
Molecular Mass 453.408 g·mol−1
Heat of Formation -215.9 ± 16.7 kJ·mol−1
Dipole Moment 9.16 ± 1.08 D
Volume 482.12 Å 3
Surface Area 406.98 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(((1-(2-amino-4-thiazolyl)-2-(((4-fluoromethyl-2-oxo-1-tetrazolyl-3-azetidinyl))amino)-2-oxoethylidene)amino)oxy)cyclobutane carboxylic acid
  • 1-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2s,3s)-2-(fluoromethyl)-4-oxo-1-(2h-1,2,3,4-tetrazol-5-yl)azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclobutane-1-carboxylic acid
  • 1-[[1-(2-amino-4-thiazolyl)-2-[[(2s,3s)-2-(fluoromethyl)-4-oxo-1-(2h-tetrazol-5-yl)-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-1-cyclobutanecarboxylic acid
  • 1-[[1-(2-aminothiazol-4-yl)-2-[[(2s,3s)-2-(fluoromethyl)-4-keto-1-(2h-tetrazol-5-yl)azetidin-3-yl]amino]-2-keto-ethylidene]amino]oxycyclobutane-1-carboxylic acid
  • 1-[[1-(2-aminothiazol-4-yl)-2-[[(2s,3s)-2-(fluoromethyl)-4-oxo-1-(2h-tetrazol-5-yl)azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclobutane-1-carboxylic acid
  • cyclobutanecarboxylic acid, 1-(((1-(2-amino-4-thiazolyl)-2-((2-(fluoromethyl)-4-oxo-1-(1h-tetrazol-5-yl)-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)-, (2s-cis)-
  • ru 44790
  • ru-44790
CAS Number(s)
  • 110012-78-7
InChIKey NKFCKCUQAPRRBR-SHXIHPCNSA-N
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