ChemSpider 2D Image | 3-Methyl-N-(3-pentanylcarbamoyl)-L-valyl-L-alanyl-L-alpha-aspartyl-L-leucine | C25H45N5O8

3-Methyl-N-(3-pentanylcarbamoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-leucine

  • Molecular FormulaC25H45N5O8
  • Average mass543.654 Da
  • Monoisotopic mass543.326843 Da
  • ChemSpider ID8873127

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Methyl-N-(3-pentanylcarbamoyl)-L-valyl-L-alanyl-L-α-asparagyl-L-leucin [German] [ACD/IUPAC Name]
3-Methyl-N-(3-pentanylcarbamoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-leucine [ACD/IUPAC Name]
3-Méthyl-N-(3-pentanylcarbamoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-leucine [French] [ACD/IUPAC Name]
3-methyl-N-(pentan-3-ylcarbamoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-leucine
L-Leucine, N-[[(1-ethylpropyl)amino]carbonyl]-3-methyl-L-valyl-L-alanyl-L-α-aspartyl- [ACD/Index Name]
(S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyrylamino}-propionylamino)-propionylamino]-4-methyl-pentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 884.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.508
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 465.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement