ChemSpider 2D Image | N-{1-Cyclohexyl-3-hydroxy-7-methyl-5-[(2-methylbutyl)carbamoyl]-2-octanyl}-Nalpha-[3-(1-naphthyl)-2-(1-naphthylmethyl)propanoyl]histidinamide | C51H67N5O4

N-{1-Cyclohexyl-3-hydroxy-7-methyl-5-[(2-methylbutyl)carbamoyl]-2-octanyl}-Nα-[3-(1-naphthyl)-2-(1-naphthylmethyl)propanoyl]histidinamide

  • Molecular FormulaC51H67N5O4
  • Average mass814.109 Da
  • Monoisotopic mass813.519287 Da
  • ChemSpider ID169544

More details:

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

1H-Imidazole-5-propanamide, N-[1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-[[(2-methylbutyl)amino]carbonyl]heptyl]-α-[[3-(1-naphthalenyl)-2-(1-naphthalenylmethyl)-1-oxopropyl]amino]- [ACD/Index Name]
N-{1-Cyclohexyl-3-hydroxy-7-methyl-5-[(2-methylbutyl)carbamoyl]-2-octanyl}-Nα-[3-(1-naphthyl)-2-(1-naphthylmethyl)propanoyl]histidinamid [German] [ACD/IUPAC Name]
N-{1-Cyclohexyl-3-hydroxy-7-methyl-5-[(2-methylbutyl)carbamoyl]-2-octanyl}-Nα-[3-(1-naphthyl)-2-(1-naphthylmethyl)propanoyl]histidinamide [ACD/IUPAC Name]
N-{1-Cyclohexyl-3-hydroxy-7-méthyl-5-[(2-méthylbutyl)carbamoyl]-2-octanyl}-Nα-[3-(1-naphtyl)-2-(1-naphtylméthyl)propanoyl]histidinamide [French] [ACD/IUPAC Name]
N-{1-cyclohexyl-3-hydroxy-7-methyl-5-[(2-methylbutyl)carbamoyl]octan-2-yl}-Nα-[3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanoyl]histidinamide
128139-14-0 [RN]
6-Cyclohexyl-4-hydroxy-5-[3-(1H-imidazol-4-yl)-2-(3-naphthalen-1-yl-2-naphthalen-1-ylmethyl-propionylamino)-propionylamino]-2-isobutyl-hexanoic acid (2-methyl-butyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL328965/

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

PD 125967 [DBID]
PD-125967 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1072.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.6±3.0 kJ/mol
Flash Point: 602.2±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 243.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 7.54
ACD/BCF (pH 5.5): 139545.17
ACD/KOC (pH 5.5): 63587.94
ACD/LogD (pH 7.4): 8.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1366075.38
Polar Surface Area: 136 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 714.0±3.0 cm3

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