ChemSpider 2D Image | N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-[(3'-acetamido-3-biphenylyl)oxy]-N-(1-carboxycyclopropyl)prolinamide | C38H49N5O8

N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-[(3'-acetamido-3-biphenylyl)oxy]-N-(1-carboxycyclopropyl)prolinamide

  • Molecular FormulaC38H49N5O8
  • Average mass703.824 Da
  • Monoisotopic mass703.358093 Da
  • ChemSpider ID4442034

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-[(3'-acetamido-3-biphenylyl)oxy]-N-(1-carboxycyclopropyl)prolinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-4-[(3'-acetamido-3-biphenylyl)oxy]-N-(1-carboxycyclopropyl)prolinamide [ACD/IUPAC Name]
N-[(2S)-2-Acétamido-2-cyclohexylacétyl]-L-valyl-(4R)-4-[(3'-acétamido-3-biphénylyl)oxy]-N-(1-carboxycyclopropyl)prolinamide [French] [ACD/IUPAC Name]
Prolinamide, N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-4-[[3'-(acetylamino)[1,1'-biphenyl]-3-yl]oxy]-N-(1-carboxycyclopropyl)-, (4R)- [ACD/Index Name]

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

AIDS280064 [DBID]
AIDS-280064 [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: 1054.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.7±3.0 kJ/mol
Flash Point: 591.3±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 188.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.42
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 537.8±5.0 cm3

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