(2S,3S)-2-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-3-(Sulfoamino)Butanoic Acid

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Properties Simple | Detailed

Formula C13H19N5O9S2
IUPAC Name (2s,3s)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-(sulfoamino)butanoic acid
Molecular Mass 453.448 g·mol−1
Heat of Formation -1424.8 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 470.06 Å 3
Surface Area 377.04 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxo-propan-2-yl)oxyimino-ethanoyl]amino]-3-(sulfoamino)butanoic acid
  • (2s,3s)-2-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-(sulfoamino)butanoic acid
  • (2s,3s)-2-[[(2z)-2-(2-amino-4-thiazolyl)-2-(2-hydroxy-1,1-dimethyl-2-oxoethoxy)imino-1-oxoethyl]amino]-3-(sulfoamino)butanoic acid
  • (2s,3s)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-(sulfoamino)butanoic acid
  • (2s,3s)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)imino-acetyl]amino]-3-(sulfoamino)butyric acid
  • butanoic acid, 2-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(sulfoamino)-, (s-(r*,r*-(z)))-
  • sq 26992
  • sq-26,992
CAS Number(s)
  • 87500-74-1
InChIKey IBLNMEMSULYOOK-VEHQQRBSSA-N
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