ChemSpider 2D Image | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE | C22H27ClN6O4S

2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE

  • Molecular FormulaC22H27ClN6O4S
  • Average mass507.006 Da
  • Monoisotopic mass506.150299 Da
  • ChemSpider ID5257034

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(3-Chlorophenyl)-N-[(2S)-1-{[(2S)-5-[(diaminomethylene)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-oxoacetamide [ACD/IUPAC Name]
2-(3-Chlorophényl)-N-[(2S)-1-{[(2S)-5-[(diaminométhylène)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]amino}-3-méthyl-1-oxo-2-butanyl]-2-oxoacétamide [French] [ACD/IUPAC Name]
2-(3-Chlorphenyl)-N-[(2S)-1-{[(2S)-5-[(diaminomethylen)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-oxoacetamid [German] [ACD/IUPAC Name]
2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE
Benzeneacetamide, 3-chloro-N-[(1S)-1-[[[(1S)-4-[(diaminomethylene)amino]-1-(2-thiazolylcarbonyl)butyl]amino]carbonyl]-2-methylpropyl]-α-oxo- [ACD/Index Name]
N-[(2S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]-2-(3-chlorophenyl)-2-oxoacetamide
(S)-2-(2-(3-chlorophenyl)-2-oxoacetamido)-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)-3-methylbutanamide
(S)-2-[2-(3-chloro-phenyl)-2-oxo-acetylamino]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
CHEMBL429733

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 198 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 352.9±7.0 cm3

Click to predict properties on the Chemicalize site


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