(6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-Thiadiazol-3(2H)-Ylidene)-2-Nitrosoacetyl]Amino}-3-{(E)-[(3'R)-1'-{[(5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methoxy]Carbonyl}-2-Oxo-1,3'-Bipyrrolidin-3-Ylidene]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C26H26N8O11S2
IUPAC Name (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[(e)-[1-[(3r)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 690.662 g·mol−1
Heat of Formation -1116.9 ± 16.7 kJ·mol−1
Dipole Moment 14.33 ± 1.08 D
Volume 747.28 Å 3
Surface Area 573.8 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[(e)-[1-[(3r)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy-oxomethyl]-3-pyrrolidinyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[(e)-[1-[(3r)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-3-[(e)-[2-keto-1-[(3r)-1-[(2-keto-5-methyl-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[(e)-[1-[(3r)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • bal-5788
  • ceftobiprole medocaril
  • ro-65-5788
  • ro-65-5788/001
InChIKey ZVOFDXNPQLQATI-YAIQPWLKSA-N
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