ChemSpider 2D Image | N-Methylvalyl-N-[1-(2-{3-[(1-carboxy-2-phenylethyl)amino]-1-methoxy-2-methyl-3-oxopropyl}-1-pyrrolidinyl)-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methylvalinamide | C39H65N5O8

N-Methylvalyl-N-[1-(2-{3-[(1-carboxy-2-phenylethyl)amino]-1-methoxy-2-methyl-3-oxopropyl}-1-pyrrolidinyl)-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methylvalinamide

  • Molecular FormulaC39H65N5O8
  • Average mass731.962 Da
  • Monoisotopic mass731.483337 Da
  • ChemSpider ID57876222

More details:

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

N-Methylvalyl-N-[1-(2-{3-[(1-carboxy-2-phenylethyl)amino]-1-methoxy-2-methyl-3-oxopropyl}-1-pyrrolidinyl)-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methylvalinamid [German] [ACD/IUPAC Name]
N-Methylvalyl-N-[1-(2-{3-[(1-carboxy-2-phenylethyl)amino]-1-methoxy-2-methyl-3-oxopropyl}-1-pyrrolidinyl)-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methylvalinamide [ACD/IUPAC Name]
N-Méthylvalyl-N-[1-(2-{3-[(1-carboxy-2-phényléthyl)amino]-1-méthoxy-2-méthyl-3-oxopropyl}-1-pyrrolidinyl)-3-méthoxy-5-méthyl-1-oxo-4-heptanyl]-N-méthylvalinamide [French] [ACD/IUPAC Name]
Valinamide, N-methylvalyl-N-[4-[2-[3-[(1-carboxy-2-phenylethyl)amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-(1-methylpropyl)-4-oxobutyl]-N-methyl- [ACD/Index Name]
745017-94-1 [RN]
MMAF

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

Density: 1.1±0.1 g/cm3
Boiling Point: 896.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 496.2±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 200.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 8.17
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 6.85
Polar Surface Area: 167 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 655.8±3.0 cm3

Click to predict properties on the Chemicalize site


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