ChemSpider 2D Image | Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-D-tryptophanate | C31H38N6O5

Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-D-tryptophanate

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID5471691

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Tryptophan, N-[[(2S)-1-[(cyclohexylamino)carbonyl]-4-[(phenylamino)carbonyl]-2-piperazinyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-D-tryptophanate [ACD/IUPAC Name]
Methyl-N-{[(2S)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-D-tryptophanat [German] [ACD/IUPAC Name]
N-{[(2S)-1-(Cyclohexylcarbamoyl)-4-(phénylcarbamoyl)-2-pipérazinyl]carbonyl}-D-tryptophanate de méthyle [French] [ACD/IUPAC Name]

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

ZINC04200771 [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: 921.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.2±3.0 kJ/mol
Flash Point: 511.4±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.19
ACD/KOC (pH 5.5): 1647.73
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.19
ACD/KOC (pH 7.4): 1647.74
Polar Surface Area: 136 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 431.7±5.0 cm3

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