ChemSpider 2D Image | N-{(2S)-4-Methyl-2-[(N-{(2S)-2-[(1-oxidoisonicotinoyl)amino]-2-phenylacetyl}-L-norvalyl)amino]pentyl}-L-alanyl-N-ethyl-L-valinamide | C35H53N7O6

N-{(2S)-4-Methyl-2-[(N-{(2S)-2-[(1-oxidoisonicotinoyl)amino]-2-phenylacetyl}-L-norvalyl)amino]pentyl}-L-alanyl-N-ethyl-L-valinamide

  • Molecular FormulaC35H53N7O6
  • Average mass667.839 Da
  • Monoisotopic mass667.405762 Da
  • ChemSpider ID9810804

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Valinamide, N-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(1-oxido-4-pyridinyl)carbonyl]amino]-2-phenylacetyl]amino]-1-oxopentyl]amino]pentyl]-L-alanyl-N-ethyl- [ACD/Index Name]
N-{(2S)-4-Methyl-2-[(N-{(2S)-2-[(1-oxidoisonicotinoyl)amino]-2-phenylacetyl}-L-norvalyl)amino]pentyl}-L-alanyl-N-ethyl-L-valinamid [German] [ACD/IUPAC Name]
N-{(2S)-4-Methyl-2-[(N-{(2S)-2-[(1-oxidoisonicotinoyl)amino]-2-phenylacetyl}-L-norvalyl)amino]pentyl}-L-alanyl-N-ethyl-L-valinamide [ACD/IUPAC Name]
N-{(2S)-4-Méthyl-2-[(N-{(2S)-2-[(1-oxydoisonicotinoyl)amino]-2-phénylacétyl}-L-norvalyl)amino]pentyl}-L-alanyl-N-éthyl-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1028.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 576.1±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 184.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 83.86
Polar Surface Area: 183 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 554.3±7.0 cm3

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