ChemSpider 2D Image | Methyl 4-[(N-{4-[(4-methoxybenzoyl)amino]butanoyl}phenylalanyl)amino]butanoate | C26H33N3O6

Methyl 4-[(N-{4-[(4-methoxybenzoyl)amino]butanoyl}phenylalanyl)amino]butanoate

  • Molecular FormulaC26H33N3O6
  • Average mass483.557 Da
  • Monoisotopic mass483.236938 Da
  • ChemSpider ID25957677

More details:

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

4-[(N-{4-[(4-Méthoxybenzoyl)amino]butanoyl}phénylalanyl)amino]butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[4-[(4-methoxybenzoyl)amino]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-[(N-{4-[(4-methoxybenzoyl)amino]butanoyl}phenylalanyl)amino]butanoate [ACD/IUPAC Name]
Methyl-4-[(N-{4-[(4-methoxybenzoyl)amino]butanoyl}phenylalanyl)amino]butanoat [German] [ACD/IUPAC Name]
methyl 4-(2-(4-(4-methoxybenzamido)butanamido)-3-phenylpropanamido)butanoate
methyl 4-(2-{4-[(4-methoxyphenyl)formamido]butanamido}-3-phenylpropanamido)butanoate
methyl 4-{[N-(4-{[(4-methoxyphenyl)carbonyl]amino}butanoyl)phenylalanyl]amino}butanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 797.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.1±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.55
ACD/KOC (pH 5.5): 601.26
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.55
ACD/KOC (pH 7.4): 601.26
Polar Surface Area: 123 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

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