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

Molecule SVG Image

Properties Simple | Detailed

Formula C13H17N5O8S2
IUPAC Name 2-[(z)-[1-(2-aminothiazol-4-yl)-2-[[(2r,3s)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
Molecular Mass 435.433 g·mol−1
Heat of Formation -1047.0 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 459.53 Å 3
Surface Area 393.92 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2r,3s)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
  • 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2r,3s)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
  • 2-[[1-(2-amino-4-thiazolyl)-2-[[(2r,3s)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
  • 2-[[1-(2-aminothiazol-4-yl)-2-[[(2r,3s)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
  • 2-[[1-(2-aminothiazol-4-yl)-2-keto-2-[[(3s,4r)-2-keto-4-methyl-1-sulfo-azetidin-3-yl]amino]ethylidene]amino]oxy-2-methyl-propionic acid
InChIKey WZPBZJONDBGPKJ-DZIOLEBDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N