4-(2-{[(6R,7R)-2-Carboxy-7-({(2Z)-2-(Ethoxyimino)-2-[5-(Phosphonoamino)-1,2,4-Thiadiazol-3-Yl]Acetyl}Amino)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Sulfanyl}-1,3-Thiazol-4-Yl)-1-Methylpyridinium

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Properties Simple | Detailed

Formula C22H22N8O8PS4+
IUPAC Name (6r,7r)-7-[[(2z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 685.693 g·mol−1
Heat of Formation -867.3 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 705.88 Å 3
Surface Area 488.58 Å 2
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2z)-2-ethoxyimino-1-oxo-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethyl]amino]-3-[[4-(1-methyl-4-pyridin-1-iumyl)-2-thiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-keto-3-[[4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey ZCCUWMICIWSJIX-NQJJCJBVSA-O
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