ChemSpider 2D Image | D-Phenylalanyl-N-[(3s)-6-Carbamimidamido-1-Chloro-2-Oxohexan-3-Yl]-L-Phenylalaninamide | C25H33ClN6O3

D-Phenylalanyl-N-[(3s)-6-Carbamimidamido-1-Chloro-2-Oxohexan-3-Yl]-L-Phenylalaninamide

  • Molecular FormulaC25H33ClN6O3
  • Average mass501.021 Da
  • Monoisotopic mass500.230255 Da
  • ChemSpider ID8454160
  • 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-Chloro-2-Oxohexan-3-Yl]-L-Phenylalaninamide
D-Phenylalanyl-N-{(3S)-1-chlor-6-[(diaminomethylen)amino]-2-oxo-3-hexanyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
D-Phenylalanyl-N-{(3S)-1-chloro-6-[(diaminomethylene)amino]-2-oxo-3-hexanyl}-L-phenylalaninamide [ACD/IUPAC Name]
D-Phénylalanyl-N-{(3S)-1-chloro-6-[(diaminométhylène)amino]-2-oxo-3-hexanyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
L-Phenylalaninamide, D-phenylalanyl-N-[(1S)-1-(2-chloroacetyl)-4-[(diaminomethylene)amino]butyl]- [ACD/Index Name]
(2R)-2-amino-N-[(2S)-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
(2S)-2-[(2R)-2-AMINO-3-PHENYLPROPANAMIDO]-N-[(3S)-6-CARBAMIMIDAMIDO-1-CHLORO-2-OXOHEXAN-3-YL]-3-PHENYLPROPANAMIDE
74392-49-7 [RN]
D-Phe-phe-arg chloromethylketone trifluoroacetate salt
DPHE-PHE-ARG-CHLOROMETHYLKETONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 134.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 166 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 383.2±7.0 cm3

Click to predict properties on the Chemicalize site