| Formula |
C25H27N6O8S3+ |
| IUPAC Name |
(7z)-3-[[(r)-[(e)-c-buta-1,3-diynyl-n-prop-1-ynyl-carbonimidoyl]sulfinyl]methyl]-7-[(2s)-2-cyano-3-(sulfoniumylidynemethyl)-2,3-dihydro-1,2,5-oxadiazol-2-ium-4-carbonyl]iminio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; carbon dioxide; prop-1-yne |
| Molecular Mass |
635.712 g·mol−1 |
| Heat of Formation |
2477.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.87 ± 1.08 D |
| Volume |
579.11 Å 3 |
| Surface Area |
477.12 Å 2 |
| HOMO Energy |
-9.00 ± 0.55 eV |
| LUMO Energy |
-2.79 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (6s,7s)-3-[(1-allyl-2-pyridin-1-iumyl)sulfinylmethyl]-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-(2-hydroxy-1,1-dimethyl-2-oxoethoxy)imino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6s,7s)-3-[(1-allylpyridin-1-ium-2-yl)sulfinylmethyl]-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6s,7s)-3-[(1-allylpyridin-1-ium-2-yl)sulfinylmethyl]-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)imino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6s,7s)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxo-propan-2-yl)oxyimino-ethanoyl]amino]-8-oxo-3-[(1-prop-2-enylpyridin-1-ium-2-yl)sulfinylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
|
| InChIKey |
XQIIVOIVEGLZPO-SXMHQMDGSA-O |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
S
C
O
N
|
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