O-{4-[(1Z)-2-({(3S)-1-[(R)-Carboxy(4-Hydroxyphenyl)Methyl]-2-Oxo-3-Azetidinyl}Amino)-N-Hydroxy-2-Oxoethanimidoyl]Phenyl}-D-Homoserine

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Properties Simple | Detailed

Formula C23H24N4O9
IUPAC Name (2r)-2-amino-4-[4-[(z)-c-[[(3s)-1-[(r)-carboxy-(4-hydroxyphenyl)methyl]-2-oxo-azetidin-3-yl]carbamoyl]-n-hydroxy-carbonimidoyl]phenoxy]butanoic acid
Molecular Mass 500.458 g·mol−1
Heat of Formation -1118.3 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 569.5 Å 3
Surface Area 473.51 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-4-[4-[(1z)-2-[[(3s)-1-[(1r)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]-2-oxo-3-azetidinyl]amino]-1-hydroxyimino-2-oxoethyl]phenoxy]butanoic acid
  • (2r)-2-amino-4-[4-[2-[[(3s)-1-[(1r)-2-hydroxy-1-(4-hydroxyphenyl)-2-keto-ethyl]-2-keto-azetidin-3-yl]amino]-2-keto-acetohydroximoyl]phenoxy]butyric acid
  • (2r)-2-amino-4-[4-[n-hydroxy-c-[[(3s)-1-[(1r)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]-2-oxo-azetidin-3-yl]carbamoyl]carbonimidoyl]phenoxy]butanoic acid
  • o-{4-[(1z)-2-{(3s)-1-[(r)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-ylamino}-n-hydroxy-2-oxoethanimidoyl]phenyl}-d-homoserine
CAS Number(s)
  • 39391-39-4
InChIKey CTNZOGJNVIFEBA-UPSUJEDGSA-N
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