ChemSpider 2D Image | O-{4-[(1Z)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserine | C23H24N4O9

O-{4-[(1Z)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserine

  • Molecular FormulaC23H24N4O9
  • Average mass500.458 Da
  • Monoisotopic mass500.154327 Da
  • ChemSpider ID30791448

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Homoserine, O-[4-[(1Z)-2-[[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl]amino]-1-(hydroxyimino)-2-oxoethyl]phenyl]- [ACD/Index Name]
O-{4-[(1Z)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserin [German] [ACD/IUPAC Name]
O-{4-[(1Z)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserine [ACD/IUPAC Name]
O-{4-[(1Z)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphényl)méthyl]-2-oxo-3-azétidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phényl}-L-homosérine [French] [ACD/IUPAC Name]
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
1-Azetidineacetic acid [ACD/Index Name]
Isonocardicin A
isonocardicin A zwitterion
O-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserine
  • Miscellaneous

    • Chemical Class:

      A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4; -hydroxyphenyl)acetyl]nitrilo gr oup in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16483
      A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetyl]nitrilo grou p in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group. ChEBI CHEBI:16483
      An L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of isonocardicin A. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142510, CHEBI:142510

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 318.5±7.0 cm3

Click to predict properties on the Chemicalize site


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