ChemSpider 2D Image | N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-methoxy-4-quinolinyl)oxy]-L-prolinamide | C36H47N5O8

N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-methoxy-4-quinolinyl)oxy]-L-prolinamide

  • Molecular FormulaC36H47N5O8
  • Average mass677.787 Da
  • Monoisotopic mass677.342468 Da
  • ChemSpider ID23173602

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Prolinamide, N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-4-quinolinyl)oxy]-, (4R)- [ACD/Index Name]
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxyquinolin-4-yl)oxy]-L-prolinamide
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-methoxy-4-chinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Acétamido-2-cyclohexylacétyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-méthoxy-4-quinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(7-methoxy-4-quinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
(1R,2S)-1-((3R,5S)-1-((S)-2-((S)-2-acetamido-2-cyclohexylacetamido)-3-methylbutanoyl)-3-(7-methoxyquinolin-4-yloxy)pyrrolidine-5-carboxamido)-2-vinylcyclopropanecarboxylic acid
1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 965.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.2±3.0 kJ/mol
Flash Point: 537.4±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 181.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 9.30
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 176 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 519.3±5.0 cm3

Click to predict properties on the Chemicalize site


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