Found 76 results

Search term: MF = 'C_{38}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | 4-(1-Benzofuran-2-yl)-Nalpha-[(2S,3S)-2-hydroxy-4-phenyl-3-{[N-(2-pyridinylcarbonyl)-L-valyl]amino}butyl]-L-phenylalaninamide | C38H41N5O5

4-(1-Benzofuran-2-yl)-Nα-[(2S,3S)-2-hydroxy-4-phenyl-3-{[N-(2-pyridinylcarbonyl)-L-valyl]amino}butyl]-L-phenylalaninamide

  • Molecular FormulaC38H41N5O5
  • Average mass647.763 Da
  • Monoisotopic mass647.310791 Da
  • ChemSpider ID5021803

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[(1S)-1-[[[(1S,2S)-3-[[(1S)-2-amino-1-[[4-(2-benzofuranyl)phenyl]methyl]-2-oxoethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]- [ACD/Index Name]
4-(1-Benzofuran-2-yl)-Nα-[(2S,3S)-2-hydroxy-4-phenyl-3-{[N-(2-pyridinylcarbonyl)-L-valyl]amino}butyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
4-(1-Benzofuran-2-yl)-Nα-[(2S,3S)-2-hydroxy-4-phenyl-3-{[N-(2-pyridinylcarbonyl)-L-valyl]amino}butyl]-L-phenylalaninamide [ACD/IUPAC Name]
4-(1-Benzofuran-2-yl)-Nα-[(2S,3S)-2-hydroxy-4-phényl-3-{[N-(2-pyridinylcarbonyl)-L-valyl]amino}butyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
hydroxylethylamine scaffold 93

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

Density: 1.2±0.1 g/cm3
Boiling Point: 978.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 545.8±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 491.53
ACD/KOC (pH 5.5): 2069.33
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1635.42
ACD/KOC (pH 7.4): 6885.13
Polar Surface Area: 160 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 523.1±3.0 cm3

Click to predict properties on the Chemicalize site


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