(4-{[(2S)-3,3-Diethyl-1-{[(1R)-1-(4-Methylphenyl)Butyl]Carbamoyl}-4-Oxo-2-Azetidinyl]Oxy}Phenyl)Acetic Acid

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Properties Simple | Detailed

Formula C27H32N2O5
IUPAC Name 2-[4-[(2s)-3,3-diethyl-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxyphenyl]acetic acid
Molecular Mass 464.553 g·mol−1
Heat of Formation -857.3 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 589.51 Å 3
Surface Area 486.79 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2s)-3,3-diethyl-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxo-azetidin-2-yl]oxyphenyl]acetic acid
  • 2-[4-[(2s)-3,3-diethyl-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxo-azetidin-2-yl]oxyphenyl]ethanoic acid
  • 2-[4-[(2s)-3,3-diethyl-4-keto-1-[[(1r)-1-(4-methylphenyl)butyl]carbamoyl]azetidin-2-yl]oxyphenyl]acetic acid
  • 2-[4-[[(2s)-3,3-diethyl-1-[[[(1r)-1-(4-methylphenyl)butyl]amino]-oxomethyl]-4-oxo-2-azetidinyl]oxy]phenyl]acetic acid
  • 4-((1-(((-1-(4-methylphenyl)butyl)amino)carbonyl)-3,3-diethyl-4-oxo-2-azetidinyl)oxy)benzeneacetic acid
  • benzeneacetic acid, 4-((3,3-diethyl-1-(((1-(4-methylphenyl)butyl)amino)carbonyl)-4-oxo-2-azetidinyl)oxy)-, (s-(r*,s*))-
  • l 680833
  • l-680,833
CAS Number(s)
  • 127063-08-5
InChIKey KGAREWFAONZBOP-RDGATRHJSA-N
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