Tomopenem

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Formula C18H39N7O6S
IUPAC Name (4r,5s,6s)-3-[(3s,5s)-5-[2-aminoethyl(methyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; ammonia; hydrate
Molecular Mass 481.611 g·mol−1
Heat of Formation -833.0 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 642.88 Å 3
Surface Area 521.36 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s)-3-[(3s,5s)-5-[(3s)-3-[(2-guanidinoacetyl)amino]pyrrolidine-1-carbonyl]-1-methyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[(3s,5s)-5-[(3s)-3-[2-(diaminomethylideneamino)ethanoylamino]pyrrolidin-1-yl]carbonyl-1-methyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[(3s,5s)-5-[(3s)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[[(3s,5s)-5-[(3s)-3-[(2-guanidinoacetyl)amino]pyrrolidine-1-carbonyl]-1-methyl-pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[[(3s,5s)-5-[[(3s)-3-[(2-guanidino-1-oxoethyl)amino]-1-pyrrolidinyl]-oxomethyl]-1-methyl-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • cs-023
  • r-115685
  • r-1558
  • ro-4908463
InChIKey KEDAXBWZURNCHS-GPODMPQUSA-N
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