Aspc

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Properties Simple | Detailed

Formula C21H27N5O7S
IUPAC Name (2s,5r,6r)-6-[[(2r)-2-[[(2r)-2-amino-4-(methylamino)-4-oxo-butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 493.533 g·mol−1
Heat of Formation -1049.9 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 571.28 Å 3
Surface Area 463.75 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-((2r)-2-((2r)-2-amino-3-(methylcarbamoyl)propionamido)-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-[[(2r)-2-amino-4-keto-4-methylamino-butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-[[(2r)-2-amino-4-methylamino-1,4-dioxobutyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-[[(2r)-2-amino-4-methylamino-4-oxo-butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-[[(2r)-2-amino-4-methylamino-4-oxo-butanoyl]amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2r)-2-[[(2r)-2-amino-4-methylamino-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • aspoxicilina [spanish]
  • aspoxicillan
  • aspoxicillin
  • aspoxicillinum [latin]
  • glycinamide, n-methyl-d-asparaginyl-n-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-d-2-(4-hydroxyphenyl)-, (2s-(2-alpha,5-alpha,6-beta))-
  • n(sup 4)-methyl-d-asparagininylamoxicillin
  • ta 058
CAS Number(s)
  • 63358-49-6
InChIKey BHELIUBJHYAEDK-OAIUPTLZSA-N
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