ChemSpider 2D Image | N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-valyl-L-seryl-N-benzyl-L-leucinamide | C27H41N5O5

N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-valyl-L-seryl-N-benzyl-L-leucinamide

  • Molecular FormulaC27H41N5O5
  • Average mass515.645 Da
  • Monoisotopic mass515.310791 Da
  • ChemSpider ID8521897

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(1,2,5,6-tetrahydro-3-pyridinyl)carbonyl]-L-valyl-L-seryl-N-(phenylmethyl)- [ACD/Index Name]
N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-valyl-L-seryl-N-benzyl-L-leucinamid [German] [ACD/IUPAC Name]
N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-valyl-L-seryl-N-benzyl-L-leucinamide [ACD/IUPAC Name]
N-(1,2,5,6-Tétrahydro-3-pyridinylcarbonyl)-L-valyl-L-séryl-N-benzyl-L-leucinamide [French] [ACD/IUPAC Name]
(2S)-N-benzyl-2-[(2S)-3-hydroxy-2-[(2S)-3-methyl-2-(1,2,5,6-tetrahydropyridin-3-ylformamido)butanamido]propanamido]-4-methylpentanamide
1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid {(S)-1-[(S)-1-((S)-1-benzylcarbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-ethylcarbamoyl]-2-methyl-propyl}-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 883.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.3±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 31.39
Polar Surface Area: 149 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 442.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement