ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-cycloheptyl-N-methyl-D-alanyl-N-{(2S)-5-[(E)-(amino{[(benzyloxy)carbonyl]amino}methylene)amino]-1-oxo-2-pentanyl}-L-prolinamide | C38H52N6O7

N-[(Benzyloxy)carbonyl]-3-cycloheptyl-N-methyl-D-alanyl-N-{(2S)-5-[(E)-(amino{[(benzyloxy)carbonyl]amino}methylene)amino]-1-oxo-2-pentanyl}-L-prolinamide

  • Molecular FormulaC38H52N6O7
  • Average mass704.856 Da
  • Monoisotopic mass704.389771 Da
  • ChemSpider ID8344517

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, 3-cycloheptyl-N-methyl-N-[(phenylmethoxy)carbonyl]-D-alanyl-N-[(1S)-4-[[(1E)-amino[[(phenylmethoxy)carbonyl]amino]methylene]amino]-1-formylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-cycloheptyl-N-methyl-D-alanyl-N-{(2S)-5-[(E)-(amino{[(benzyloxy)carbonyl]amino}methylen)amino]-1-oxo-2-pentanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-cycloheptyl-N-methyl-D-alanyl-N-{(2S)-5-[(E)-(amino{[(benzyloxy)carbonyl]amino}methylene)amino]-1-oxo-2-pentanyl}-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-cycloheptyl-N-méthyl-D-alanyl-N-{(2S)-5-[(E)-(amino{[(benzyloxy)carbonyl]amino}méthylène)amino]-1-oxo-2-pentanyl}-L-prolinamide [French] [ACD/IUPAC Name]

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: 1.607
Molar Refractivity: 193.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 142.57
ACD/KOC (pH 5.5): 510.99
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2236.27
ACD/KOC (pH 7.4): 8014.92
Polar Surface Area: 173 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 559.6±7.0 cm3

Click to predict properties on the Chemicalize site


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