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

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

  • Molecular FormulaC40H50N6O9S
  • Average mass790.925 Da
  • Monoisotopic mass790.335999 Da
  • ChemSpider ID26327119

  • 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-2-[2-[(2-methyl-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-Ethenylcyclopropyl]-4-[(7-Methoxy-2-{2-[(2-Methylpropanoyl)amino]-1,3-Thiazol-4-Yl}quinolin-4-Yl)oxy]-L-Prolinamide
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-({2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-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-({2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-méthoxy-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-({2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-L-prolinamide [ACD/IUPAC Name]
L5T

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: 1.635
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: 5.11
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 96.49
ACD/KOC (pH 5.5): 413.60
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 227 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 581.2±5.0 cm3

Click to predict properties on the Chemicalize site


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