ChemSpider 2D Image | 6-{[(1S)-2-(Glycylamino)-2-oxo-1-phenylethyl][(E)-imino(4-pyridinyl)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C24H26N6O5S

6-{[(1S)-2-(Glycylamino)-2-oxo-1-phenylethyl][(E)-imino(4-pyridinyl)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC24H26N6O5S
  • Average mass510.565 Da
  • Monoisotopic mass510.168549 Da
  • ChemSpider ID4957077
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 4 defined stereocentres


More details:






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

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1S)-2-[(2-aminoacetyl)amino]-2-oxo-1-phenylethyl][(E)-imino-4-pyridinylmethyl]amino]-3,3-dimethyl-7-oxo- [ACD/Index Name]
6-{[(1S)-2-(Glycylamino)-2-oxo-1-phenylethyl][(E)-imino(4-pyridinyl)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
6-{[(1S)-2-(Glycylamino)-2-oxo-1-phenylethyl][(E)-imino(4-pyridinyl)methyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-{[(1S)-2-(glycylamino)-2-oxo-1-phényléthyl][(E)-imino(4-pyridinyl)méthyl]amino}-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
6-(D-2-Phenyl-2-(N-4-pyridylformimidyl aminoacetamido)acetamido)penicillanic acid
63975-62-2 [RN]
CP-33,994
Glycinamide, N-(imino-4-pyridinylmethyl)glycyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenyl-, (2S-(2α,5α,6β))-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site






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