ChemSpider 2D Image | N-(4-Carboxybutanoyl)-L-isoleucyl-N-[(2S)-1-{[(2S)-1-({(2S)-1-[(3-carbamoylbenzyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-1-oxo-2-propanyl]amino}-4-methyl-2-pentanyl]-L-norvalinamide | C38H63N7O8

N-(4-Carboxybutanoyl)-L-isoleucyl-N-[(2S)-1-{[(2S)-1-({(2S)-1-[(3-carbamoylbenzyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-1-oxo-2-propanyl]amino}-4-methyl-2-pentanyl]-L-norvalinamide

  • Molecular FormulaC38H63N7O8
  • Average mass745.949 Da
  • Monoisotopic mass745.473816 Da
  • ChemSpider ID9796621

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Norvalinamide, N-(4-carboxy-1-oxobutyl)-L-isoleucyl-N-[(1S)-1-[[[(1S)-2-[[(1S)-1-[[[[3-(aminocarbonyl)phenyl]methyl]amino]carbonyl]-2-methylpropyl]amino]-1-methyl-2-oxoethyl]amino]methyl]-3-methylbu tyl]- [ACD/Index Name]
N-(4-Carboxybutanoyl)-L-isoleucyl-N-[(2S)-1-{[(2S)-1-({(2S)-1-[(3-carbamoylbenzyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-1-oxo-2-propanyl]amino}-4-methyl-2-pentanyl]-L-norvalinamid [German] [ACD/IUPAC Name]
N-(4-Carboxybutanoyl)-L-isoleucyl-N-[(2S)-1-{[(2S)-1-({(2S)-1-[(3-carbamoylbenzyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-1-oxo-2-propanyl]amino}-4-methyl-2-pentanyl]-L-norvalinamide [ACD/IUPAC Name]
N-(4-Carboxybutanoyl)-L-isoleucyl-N-[(2S)-1-{[(2S)-1-({(2S)-1-[(3-carbamoylbenzyl)amino]-3-méthyl-1-oxo-2-butanyl}amino)-1-oxo-2-propanyl]amino}-4-méthyl-2-pentanyl]-L-norvalinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1057.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.1±3.0 kJ/mol
Flash Point: 593.1±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 202.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 655.8±3.0 cm3

Click to predict properties on the Chemicalize site


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