ChemSpider 2D Image | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | C38H47N5O7

N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID4436150

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Methyl-N-[(2-methyl-2-propanyl)carbamoyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-[(2-méthyl-2-propanyl)carbamoyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-[(2-methyl-2-propanyl)carbamoyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-, (4R)- [ACD/Index Name]
N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
(1R)-{[1-((2S)-2-{[(Tert-butyl)amino]carbonylamino}-3,3-dimethylbutanoyl)(2S,4R)-4-(7-methoxy-2-phenyl(4-quinolyloxy))pyrrolidin-2-yl]carbonylamino}-(2S)-vinylcyclopropanecarboxylic acid
(1R,2S)-1-((3R,5S)-1-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-3-(7-methoxy-2-phenylquinolin-4-yloxy)pyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylic acid
1RR

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

AIDS197525 [DBID]
AIDS-197525 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 904.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 501.1±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 9.47
ACD/KOC (pH 5.5): 51.72
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.08
Polar Surface Area: 159 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 533.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement