ChemSpider 2D Image | N-{(3R)-4-[1-(4-Biphenylylmethyl)-2-{(2R)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoyl}hydrazino]-3-hydroxy-1-phenyl-2-butanyl}-N~2~-(methoxycarbonyl)-3-methylvalinamide | C39H53N5O7

N-{(3R)-4-[1-(4-Biphenylylmethyl)-2-{(2R)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoyl}hydrazino]-3-hydroxy-1-phenyl-2-butanyl}-N2-(methoxycarbonyl)-3-methylvalinamide

  • Molecular FormulaC39H53N5O7
  • Average mass703.867 Da
  • Monoisotopic mass703.394470 Da
  • ChemSpider ID68025229

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Butanoic acid, 2-[(methoxycarbonyl)amino]-3,3-dimethyl-, 2-([1,1'-biphenyl]-4-ylmethyl)-2-[(2R)-2-hydroxy-3-[[2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]hydrazide, (2R)- [ACD/Index Name]
N-{(3R)-4-[1-(4-Biphenylylmethyl)-2-{(2R)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoyl}hydrazino]-3-hydroxy-1-phenyl-2-butanyl}-N2-(methoxycarbonyl)-3-methylvalinamid [German] [ACD/IUPAC Name]
N-{(3R)-4-[1-(4-Biphenylylmethyl)-2-{(2R)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoyl}hydrazino]-3-hydroxy-1-phenyl-2-butanyl}-N2-(methoxycarbonyl)-3-methylvalinamide [ACD/IUPAC Name]
N-{(3R)-4-[1-(4-Biphénylylméthyl)-2-{(2R)-2-[(méthoxycarbonyl)amino]-3,3-diméthylbutanoyl}hydrazino]-3-hydroxy-1-phényl-2-butanyl}-N2-(méthoxycarbonyl)-3-méthylvalinamide [French] [ACD/IUPAC Name]
CGP-75355

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: 1.561
Molar Refractivity: 195.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11335.05
ACD/KOC (pH 5.5): 27762.74
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11331.20
ACD/KOC (pH 7.4): 27753.33
Polar Surface Area: 158 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 604.7±3.0 cm3

Click to predict properties on the Chemicalize site


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