ChemSpider 2D Image | 1-[1-(Cyclohexylmethyl)-2-{2-[(methoxycarbonyl)amino]-3-methylbutanoyl}hydrazino]-3-{[N-(methoxycarbonyl)valyl]amino}-4-phenyl-2-butanyl N,N-dimethylglycinate | C35H58N6O8

1-[1-(Cyclohexylmethyl)-2-{2-[(methoxycarbonyl)amino]-3-methylbutanoyl}hydrazino]-3-{[N-(methoxycarbonyl)valyl]amino}-4-phenyl-2-butanyl N,N-dimethylglycinate

  • Molecular FormulaC35H58N6O8
  • Average mass690.870 Da
  • Monoisotopic mass690.431641 Da
  • ChemSpider ID8344395

More details:

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

1-[1-(Cyclohexylmethyl)-2-{2-[(methoxycarbonyl)amino]-3-methylbutanoyl}hydrazino]-3-{[N-(methoxycarbonyl)valyl]amino}-4-phenyl-2-butanyl N,N-dimethylglycinate [ACD/IUPAC Name]
1-[1-(Cyclohexylmethyl)-2-{2-[(methoxycarbonyl)amino]-3-methylbutanoyl}hydrazino]-3-{[N-(methoxycarbonyl)valyl]amino}-4-phenyl-2-butanyl-N,N-dimethylglycinat [German] [ACD/IUPAC Name]
Butanoic acid, 2-[(methoxycarbonyl)amino]-3-methyl-, 2-(cyclohexylmethyl)-2-[2-[[2-(dimethylamino)acetyl]oxy]-3-[[2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]amino]-4-phenylbutyl]hydrazide [ACD/Index Name]
N,N-Diméthylglycinate de 1-[1-(cyclohexylméthyl)-2-{2-[(méthoxycarbonyl)amino]-3-méthylbutanoyl}hydrazino]-3-{[N-(méthoxycarbonyl)valyl]amino}-4-phényl-2-butanyle [French] [ACD/IUPAC Name]

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: 1.523
Molar Refractivity: 185.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 52.14
ACD/KOC (pH 5.5): 216.40
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1241.96
ACD/KOC (pH 7.4): 5154.35
Polar Surface Area: 168 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 608.1±3.0 cm3

Click to predict properties on the Chemicalize site


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