Formula |
C19H22N8O6S2 |
IUPAC Name |
(6r,7r)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
Molecular Mass |
522.558 g·mol−1 |
Heat of Formation |
-137.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
18.64 ± 1.08 D |
Volume |
566.19 Å 3 |
Surface Area |
474.14 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (6r,7r)-3-[[3-amino-2-(2-hydroxyethyl)-1-pyrazol-1-iumyl]methyl]-7-[[(2z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- (6r,7r)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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InChIKey |
BHXLLRXDAYEMPP-SBGRAJFYSA-N |
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Elements |
H
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N
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