ChemSpider 2D Image | 1-(tert-butoxycarbonyl)prolylphenylalanyl-N-[5-hydroxy-2,8-dimethyl-7-({3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-Nalpha-methylhistidinamide | C50H75N9O8

1-(tert-butoxycarbonyl)prolylphenylalanyl-N-[5-hydroxy-2,8-dimethyl-7-({3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-Nα-methylhistidinamide

  • Molecular FormulaC50H75N9O8
  • Average mass930.186 Da
  • Monoisotopic mass929.573853 Da
  • ChemSpider ID8186642

More details:

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

1-(tert-butoxycarbonyl)prolylphenylalanyl-N-[5-hydroxy-2,8-dimethyl-7-({3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]pentan-2-yl}carbamoyl)nonan-4-yl]-Nα-methylhistidinamide
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}prolylphenylalanyl-N-[5-hydroxy-2,8-dimethyl-7-({3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-methylhistidinamid [German] [ACD/IUPAC Name]
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}prolylphenylalanyl-N-[5-hydroxy-2,8-dimethyl-7-({3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-methylhistidinamide [ACD/IUPAC Name]
1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}prolylphénylalanyl-N-[5-hydroxy-2,8-diméthyl-7-({3-méthyl-1-oxo-1-[(2-pyridinylméthyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-méthylhistidinamide [French] [ACD/IUPAC Name]
histidinamide, 1-[(1,1-dimethylethoxy)carbonyl]prolylphenylalanyl-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-Nα-methyl-
Histidinamide, 1-[(1,1-dimethylethoxy)carbonyl]prolylphenylalanyl-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-Nα-methyl - [ACD/Index Name]
2-(1-{[1-(2-Hydroxy-1-isobutyl-5-methyl-4-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1156.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.9±3.0 kJ/mol
Flash Point: 653.3±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 255.3±0.3 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 22.40
ACD/KOC (pH 5.5): 143.30
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 322.00
ACD/KOC (pH 7.4): 2059.85
Polar Surface Area: 228 Å2
Polarizability: 101.2±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 789.6±3.0 cm3

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