ChemSpider 2D Image | N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-(3-biphenylyloxy)-N-(1-carboxycyclopropyl)-L-prolinamide | C36H46N4O7

N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-(3-biphenylyloxy)-N-(1-carboxycyclopropyl)-L-prolinamide

  • Molecular FormulaC36H46N4O7
  • Average mass646.773 Da
  • Monoisotopic mass646.336670 Da
  • ChemSpider ID4436845

  • defined stereocentres - 4 of 4 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-4-([1,1'-biphenyl]-3-yloxy)-N-(1-carboxycyclopropyl)-, (4R)- [ACD/Index Name]
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-4-(biphenyl-3-yloxy)-N-(1-carboxycyclopropyl)-L-prolinamide
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-(3-biphenylyloxy)-N-(1-carboxycyclopropyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-(3-biphenylyloxy)-N-(1-carboxycyclopropyl)-L-prolinamide [ACD/IUPAC Name]
N-[(2S)-2-Acétamido-2-cyclohexylacétyl]-L-valyl-(4R)-4-(3-biphénylyloxy)-N-(1-carboxycyclopropyl)-L-prolinamide [French] [ACD/IUPAC Name]
1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-3-yloxy)-pyrrolidine-2-carbonyl]-amino}-cyclopropanecarboxylic acid
CHEMBL177480

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

AIDS212369 [DBID]
AIDS-212369 [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: 963.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 536.2±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 175.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 20.04
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 502.2±5.0 cm3

Click to predict properties on the Chemicalize site


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