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

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Properties Simple | Detailed

Formula C23H23ClN4O9
IUPAC Name (2r)-2-[(3s)-3-[[(3e,5e)-6-(3-aminopropoxy)-2-(hydroxyammonio)-3-methyl-hexa-3,5-dienoyl]amino]-2-oxo-azetidin-1-yl]-2-(3-chloro-4-hydroxy-phenyl)acetate dihydrate
Molecular Mass 534.903 g·mol−1
Heat of Formation -1146.6 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 581.62 Å 3
Surface Area 517.88 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-4-[4-[(1e)-2-[[(3s)-1-[(1r)-1-(3-chloro-4-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-2-oxo-3-azetidinyl]amino]-1-hydroxyimino-2-oxoethyl]phenoxy]butanoic acid
  • (2r)-2-amino-4-[4-[2-[[(3s)-1-[(1r)-1-(3-chloro-4-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]-2-keto-azetidin-3-yl]amino]-2-keto-acetohydroximoyl]phenoxy]butyric acid
  • (2r)-2-amino-4-[4-[c-[[(3s)-1-[(1r)-1-(3-chloro-4-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]-2-oxo-azetidin-3-yl]carbamoyl]-n-hydroxy-carbonimidoyl]phenoxy]butanoic acid
  • (2r)-2-amino-4-[4-[c-[[(3s)-1-[(1r)-1-(3-chloro-4-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-2-oxoazetidin-3-yl]carbamoyl]-n-hydroxycarbonimidoyl]phenoxy]butanoic acid
  • 1-azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)(hydroxyimino)acetyl)amino)-alpha-(3-chloro-4-hydroxyphenyl)-2-oxo-, (3s-(1(s*),3r*(z(s*))))-
  • chlorocardicin
CAS Number(s)
  • 95927-71-2
InChIKey UMDAIHWMUXNVSB-IMUCLJOZSA-N
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