ChemSpider 2D Image | N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-({7-methoxy-8-methyl-2-[2-(propionylamino)-1,3-thiazol-4-yl]-4-quinolinyl}oxy)-L-prolinamide | C40H50N6O9S

N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-({7-methoxy-8-methyl-2-[2-(propionylamino)-1,3-thiazol-4-yl]-4-quinolinyl}oxy)-L-prolinamide

  • Molecular FormulaC40H50N6O9S
  • Average mass790.925 Da
  • Monoisotopic mass790.335999 Da
  • ChemSpider ID26349794

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[[7-methoxy-8-methyl-2-[2-[(1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-, (4R)- [ACD/Index Name]
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-({7-methoxy-8-methyl-2-[2-(propionylamino)-1,3-thiazol-4-yl]-4-chinolinyl}oxy)-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-méthyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-({7-méthoxy-8-méthyl-2-[2-(propionylamino)-1,3-thiazol-4-yl]-4-quinoléinyl}oxy)-L-prolinamide [French] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-({7-methoxy-8-methyl-2-[2-(propionylamino)-1,3-thiazol-4-yl]-4-quinolinyl}oxy)-L-prolinamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1241342/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 208.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 109.93
ACD/KOC (pH 5.5): 454.03
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 7.32
Polar Surface Area: 227 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 580.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement