ChemSpider 2D Image | N-(tert-butoxycarbonyl)-L-valyl-N-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}hexan-3-yl]-L-phenylalaninamide | C33H46N4O6

N-(tert-butoxycarbonyl)-L-valyl-N-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}hexan-3-yl]-L-phenylalaninamide

  • Molecular FormulaC33H46N4O6
  • Average mass594.742 Da
  • Monoisotopic mass594.341736 Da
  • ChemSpider ID23201385

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N-[(1S)-1-[1,2-dioxo-2-[[(1R)-1-phenylethyl]amino]ethyl]butyl]- [ACD/Index Name]
N-(tert-butoxycarbonyl)-L-valyl-N-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}hexan-3-yl]-L-phenylalaninamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-hexanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-hexanyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(3S)-1,2-dioxo-1-{[(1R)-1-phényléthyl]amino}-3-hexanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
((S)-2-Methyl-1-{(S)-2-phenyl-1-[(S)-1-((R)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-ethylcarbamoyl}-propyl)-carbamic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL325300/

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1057.12
ACD/KOC (pH 5.5): 5084.72
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1056.61
ACD/KOC (pH 7.4): 5082.25
Polar Surface Area: 143 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 526.1±3.0 cm3

Click to predict properties on the Chemicalize site


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