ChemSpider 2D Image | Methyl N-(4-{[7-(4-methoxy-4-oxobutoxy)-2-naphthyl]oxy}butanoyl)-L-valyl-L-leucyl-L-valinate | C36H53N3O9

Methyl N-(4-{[7-(4-methoxy-4-oxobutoxy)-2-naphthyl]oxy}butanoyl)-L-valyl-L-leucyl-L-valinate

  • Molecular FormulaC36H53N3O9
  • Average mass671.821 Da
  • Monoisotopic mass671.378174 Da
  • ChemSpider ID424983

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valine, N-[4-[[7-(4-methoxy-4-oxobutoxy)-2-naphthalenyl]oxy]-1-oxobutyl]-L-valyl-L-leucyl-, methyl ester [ACD/Index Name]
Methyl N-(4-{[7-(4-methoxy-4-oxobutoxy)-2-naphthyl]oxy}butanoyl)-L-valyl-L-leucyl-L-valinate [ACD/IUPAC Name]
methyl N-(4-{[7-(4-methoxy-4-oxobutoxy)naphthalen-2-yl]oxy}butanoyl)-L-valyl-L-leucyl-L-valinate
Methyl-N-(4-{[7-(4-methoxy-4-oxobutoxy)-2-naphthyl]oxy}butanoyl)-L-valyl-L-leucyl-L-valinat [German] [ACD/IUPAC Name]
N-(4-{[7-(4-Méthoxy-4-oxobutoxy)-2-naphtyl]oxy}butanoyl)-L-valyl-L-leucyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
(S)-2-[(S)-2-((S)-2-{4-[7-(3-Methoxycarbonyl-propoxy)-naphthalen-2-yloxy]-butyrylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-3-methyl-butyric acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL366493/
Val-Leu-Val-Methoxy-4-[7-(4-oxo-pentyloxy)-naphthalen-2-yloxy]-butyraldehyde-OMe
VLVOMe-4-[7-(4-oxo-pentyloxy)-naphthalen-2-yloxy]-butyraldehyde-OMe

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

AIDS106346 [DBID]
AIDS-106346 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 870.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 480.5±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 182.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1967.27
ACD/KOC (pH 5.5): 7931.31
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1967.27
ACD/KOC (pH 7.4): 7931.28
Polar Surface Area: 158 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 594.7±3.0 cm3

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