ChemSpider 2D Image | N-Benzoyl-3-methyl-L-valyl-N-[(3S)-1-(cyclohexylamino)-1,2-dioxo-3-heptanyl]-L-alaninamide | C29H44N4O5

N-Benzoyl-3-methyl-L-valyl-N-[(3S)-1-(cyclohexylamino)-1,2-dioxo-3-heptanyl]-L-alaninamide

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID34954446

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-benzoyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclohexylamino)-1,2-dioxoethyl]pentyl]- [ACD/Index Name]
N-Benzoyl-3-methyl-L-valyl-N-[(3S)-1-(cyclohexylamino)-1,2-dioxo-3-heptanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-Benzoyl-3-methyl-L-valyl-N-[(3S)-1-(cyclohexylamino)-1,2-dioxo-3-heptanyl]-L-alaninamide [ACD/IUPAC Name]
N-Benzoyl-3-méthyl-L-valyl-N-[(3S)-1-(cyclohexylamino)-1,2-dioxo-3-heptanyl]-L-alaninamide [French] [ACD/IUPAC Name]
US8541363, 423

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: 1.545
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.24
ACD/KOC (pH 5.5): 1627.45
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.22
ACD/KOC (pH 7.4): 1627.35
Polar Surface Area: 133 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 463.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement