ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-N-{(2S)-5-carbamimidamido-1-[(4-methoxybenzoyl)oxy]-2-pentanyl}-L-prolinamide | C33H46N6O7

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-N-{(2S)-5-carbamimidamido-1-[(4-methoxybenzoyl)oxy]-2-pentanyl}-L-prolinamide

  • Molecular FormulaC33H46N6O7
  • Average mass638.754 Da
  • Monoisotopic mass638.342773 Da
  • ChemSpider ID23113903

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[(4-methoxybenzoyl)oxy]methyl]butyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-N-{(2S)-5-carbamimidamido-1-[(4-methoxybenzoyl)oxy]-2-pentanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-N-{(2S)-5-carbamimidamido-1-[(4-methoxybenzoyl)oxy]-2-pentanyl}-L-prolinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-phénylalanyl-N-{(2S)-5-carbamimidamido-1-[(4-méthoxybenzoyl)oxy]-2-pentanyl}-L-prolinamide [French] [ACD/IUPAC Name]
4-Methoxy-benzoic acid 2-{[1-(2-tert-butoxycarbonylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-5-guanidino-pentyl ester
N-(tert-butoxycarbonyl)-D-phenylalanyl-N-{(2S)-5-[(diaminomethylidene)amino]-1-[(4-methoxybenzoyl)oxy]pentan-2-yl}-L-prolinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 171.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 16.93
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 16.95
Polar Surface Area: 188 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 506.0±7.0 cm3

Click to predict properties on the Chemicalize site


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