(2R)-3-Methyl-2-{(3S)-2-Oxo-3-[(Phenylacetyl)Amino]-1-Azetidinyl}Butanoic Acid

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Properties Simple | Detailed

Formula C16H20N2O4
IUPAC Name (2r)-3-methyl-2-[(3s)-2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]butanoic acid
Molecular Mass 304.341 g·mol−1
Heat of Formation -611.7 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 373.93 Å 3
Surface Area 301.48 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(3s)-2-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-butyric acid
  • (2r)-3-methyl-2-[(3s)-2-oxo-3-(2-phenylethanoylamino)azetidin-1-yl]butanoic acid
  • (2r)-3-methyl-2-[(3s)-2-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]butanoic acid
  • (2r)-3-methyl-2-[(3s)-2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]butanoic acid
  • 1-azetidineacetic acid, alpha-(1-methylethyl)-2-oxo-3-((phenylacetyl)amino)-, (r-(r*,s*))-
  • desthiobenzylpenicillin
  • dethiobenzylpenicillin
CAS Number(s)
  • 4425-26-7
InChIKey FZGPEVZHDQGHEP-GXTWGEPZSA-N
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