ChemSpider 2D Image | N-(4-Methylbenzyl)-Nalpha-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide | C32H41N5O5

N-(4-Methylbenzyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID17466187
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Carbamic acid, N-[2-[4-[[[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]carbonyl]-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(4-Methylbenzyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
N-(4-Methylbenzyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide [ACD/IUPAC Name]
N-(4-Méthylbenzyl)-Nα-{[1-(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}glycyl)-4-pipéridinyl]carbonyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
956944-75-5 [RN]
C32H41N5O5
TERT-BUTYL N-[2-(4-{[(1S)-2-(1H-INDOL-3-YL)-1-{[(4-METHYLPHENYL)METHYL]CARBAMOYL}ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-2-OXOETHYL]CARBAMATE
tert-butyl N-[2-[4-[[(2S)-3-(1H-indol-3-yl)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]carbamate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 905.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 501.2±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.38
ACD/KOC (pH 5.5): 1539.69
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.37
ACD/KOC (pH 7.4): 1539.63
Polar Surface Area: 133 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 469.7±3.0 cm3

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