ChemSpider 2D Image | D-Phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxo-3-hexanyl]-D-prolinamide | C21H31ClN6O3

D-Phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxo-3-hexanyl]-D-prolinamide

  • Molecular FormulaC21H31ClN6O3
  • Average mass450.962 Da
  • Monoisotopic mass450.214630 Da
  • ChemSpider ID23213820
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

D-Phenylalanyl-N-[(3S)-6-carbamimidamido-1-chlor-2-oxo-3-hexanyl]-D-prolinamid [German] [ACD/IUPAC Name]
D-Phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxo-3-hexanyl]-D-prolinamide [ACD/IUPAC Name]
D-Phénylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxo-3-hexanyl]-D-prolinamide [French] [ACD/IUPAC Name]
D-phenylalanyl-N-{(3S)-1-chloro-6-[(diaminomethylidene)amino]-2-oxohexan-3-yl}-D-prolinamide
D-Prolinamide, D-phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-chloroacetyl)butyl]- [ACD/Index Name]
(R)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(2-chloro-acetyl)-4-guanidino-butyl]-amide

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: 1.641
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 325.1±7.0 cm3

Click to predict properties on the Chemicalize site






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