ChemSpider 2D Image | 2-Methyl-2-propanyl {[(3S,4S)-4-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}-6-methyl-3-sulfanylheptanoyl]amino}acetate | C26H41N3O6S

2-Methyl-2-propanyl {[(3S,4S)-4-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}-6-methyl-3-sulfanylheptanoyl]amino}acetate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID8431734

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{[(3S,4S)-4-{[(2S)-3-(4-Méthoxyphényl)-1-(méthylamino)-1-oxo-2-propanyl]carbamoyl}-6-méthyl-3-sulfanylheptanoyl]amino}acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[(3S,4S)-4-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}-6-methyl-3-sulfanylheptanoyl]amino}acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[(3S,4S)-4-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}-6-methyl-3-sulfanylheptanoyl]amino}acetat [German] [ACD/IUPAC Name]
tert-butyl {[(3S,4S)-4-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl}-6-methyl-3-sulfanylheptanoyl]amino}acetate (non-preferred name)
{3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-6-methyl-heptanoylamino}-acetic acid tert-butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 757.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.2±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.45
ACD/KOC (pH 5.5): 1324.62
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.15
ACD/KOC (pH 7.4): 1305.75
Polar Surface Area: 162 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 463.8±3.0 cm3

Click to predict properties on the Chemicalize site


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