2-({(Z)-[1-(2-Amino-1,3-Thiazol-4-Yl)-2-Oxo-2-{[(2S,3S)-1-Oxo-3-(Sulfoamino)-2-Butanyl]Amino}Ethylidene]Amino}Oxy)-2-Methylpropanoic Acid

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Properties Simple | Detailed

Formula C13H19N5O8S2
IUPAC Name 2-[(z)-[1-(2-aminothiazol-4-yl)-2-[[(1s,2s)-1-formyl-2-(sulfoamino)propyl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
Molecular Mass 437.449 g·mol−1
Heat of Formation -1142.8 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 457.88 Å 3
Surface Area 379.46 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino]ethylidene]amino]oxy-2-methyl-propanoic acid
  • 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino]ethylidene]amino]oxy-2-methylpropanoic acid
  • 2-[[1-(2-amino-4-thiazolyl)-2-[[(1s,2s)-1-formyl-2-(sulfoamino)propyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
  • 2-[[1-(2-aminothiazol-4-yl)-2-[[(1s,2s)-1-formyl-2-(sulfoamino)propyl]amino]-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid
  • 2-[[1-(2-aminothiazol-4-yl)-2-[[(1s,2s)-1-formyl-2-(sulfoamino)propyl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
InChIKey OEVQTUTXOVDNJO-GEEOIBTQSA-N
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