ChemSpider 2D Image | N-[(2S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(phenylamino)pentan-2-yl]amino}-1-oxo-4-(4-propylphenyl)butan-2-yl]-D-alanine | C28H40N6O4

N-[(2S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(phenylamino)pentan-2-yl]amino}-1-oxo-4-(4-propylphenyl)butan-2-yl]-D-alanine

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID8499995

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Alanine, N-[(1S)-1-[[[(1S)-4-[(diaminomethylene)amino]-1-[(phenylamino)carbonyl]butyl]amino]carbonyl]-3-(4-propylphenyl)propyl]- [ACD/Index Name]
N-[(2S)-1-({(2S)-1-Anilino-5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}amino)-1-oxo-4-(4-propylphenyl)-2-butanyl]-D-alanin [German] [ACD/IUPAC Name]
N-[(2S)-1-({(2S)-1-Anilino-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}amino)-1-oxo-4-(4-propylphenyl)-2-butanyl]-D-alanine [ACD/IUPAC Name]
N-[(2S)-1-({(2S)-1-Anilino-5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}amino)-1-oxo-4-(4-propylphényl)-2-butanyl]-D-alanine [French] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(phenylamino)pentan-2-yl]amino}-1-oxo-4-(4-propylphenyl)butan-2-yl]-D-alanine
(R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-butylcarbamoyl)-3-(4-propyl-phenyl)-propylamino]-propionic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.45
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 425.4±7.0 cm3

Click to predict properties on the Chemicalize site


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