ChemSpider 2D Image | L-779,976 | C33H43N7O3

L-779,976

  • Molecular FormulaC33H43N7O3
  • Average mass585.740 Da
  • Monoisotopic mass585.342712 Da
  • ChemSpider ID4470865

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(βS)-N-{[(1R,3R)-3-(Aminomethyl)cyclohexyl]methyl}-β-methyl-Nα-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-D-tryptophanamid [German] [ACD/IUPAC Name]
(βS)-N-{[(1R,3R)-3-(Aminomethyl)cyclohexyl]methyl}-β-methyl-Nα-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-D-tryptophanamide [ACD/IUPAC Name]
(βS)-N-{[(1R,3R)-3-(Aminométhyl)cyclohexyl]méthyl}-β-méthyl-Nα-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-pipéridinyl]carbonyl}-D-tryptophaneamide [French] [ACD/IUPAC Name]
1H-Indole-3-propanamide, N-[[(1R,3R)-3-(aminomethyl)cyclohexyl]methyl]-α-[[[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl]amino]-β-methyl-, (αR,βS)- [ACD/Index Name]
L-779,976
C121854
L 779,976
L 779976
L 779976|L-779976
L779976
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.55
Polar Surface Area: 136 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 466.8±3.0 cm3

Click to predict properties on the Chemicalize site


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