ChemSpider 2D Image | N-Benzoylglycyl-N-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-3-methyl-L-valinamide | C35H47N5O6S

N-Benzoylglycyl-N-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-3-methyl-L-valinamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID8387328

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N-benzoylglycyl-N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl- [ACD/Index Name]
N-Benzoylglycyl-N-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
N-Benzoylglycyl-N-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-3-methyl-L-valinamide [ACD/IUPAC Name]
N-Benzoylglycyl-N-[(2S,3R)-4-{[(4-aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 184.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.89
ACD/KOC (pH 5.5): 3427.58
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.00
ACD/KOC (pH 7.4): 3428.17
Polar Surface Area: 179 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 544.7±3.0 cm3

Click to predict properties on the Chemicalize site


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