ChemSpider 2D Image | (3R)-3-{[(3-{[(3-Methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]amino}propyl)(methyl)carbamoyl]amino}butanoic acid | C26H35N5O6

(3R)-3-{[(3-{[(3-Methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]amino}propyl)(methyl)carbamoyl]amino}butanoic acid

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID8111889
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-{[(3-{[(3-Methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]amino}propyl)(methyl)carbamoyl]amino}butanoic acid [ACD/IUPAC Name]
(3R)-3-{[(3-{[(3-Methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]amino}propyl)(methyl)carbamoyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-{[(3-{[2-(3-méthoxy-4-{[(2-méthylphényl)carbamoyl]amino}phényl)acétyl]amino}propyl)(méthyl)carbamoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[[[3-[[2-[3-methoxy-4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]amino]propyl]methylamino]carbonyl]amino]-, (3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 743.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 51.48
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 405.6±3.0 cm3

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