Found 1 result

Search term: RNQDZMJJXVOUFD-PMERELPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | alpha-Methyl-Nalpha-[(3-nitrophenyl)carbamoyl]-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide | C31H34N6O4

α-Methyl-Nα-[(3-nitrophenyl)carbamoyl]-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide

  • Molecular FormulaC31H34N6O4
  • Average mass554.640 Da
  • Monoisotopic mass554.264160 Da
  • ChemSpider ID23176500

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-methyl-α-[[[(3-nitrophenyl)amino]carbonyl]amino]-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-, (αS)- [ACD/Index Name]
α-Methyl-Nα-[(3-nitrophenyl)carbamoyl]-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
α-Methyl-Nα-[(3-nitrophenyl)carbamoyl]-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide [ACD/IUPAC Name]
α-Méthyl-Nα-[(3-nitrophényl)carbamoyl]-N-{[1-(2-pyridinyl)cyclohexyl]méthyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
α-methyl-Nα-[(3-nitrophenyl)carbamoyl]-N-{[1-(pyridin-2-yl)cyclohexyl]methyl}-L-tryptophanamide
(S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(3-nitro-phenyl)-ureido]-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
CHEMBL313346
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL313346/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 806.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.2±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 1983.68
ACD/KOC (pH 5.5): 6215.88
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4680.97
ACD/KOC (pH 7.4): 14667.87
Polar Surface Area: 145 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 426.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement