Found 1 result

Search term: QZVQSVZEEJEZSI-YXRKCGNLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S,5S)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-8-yl]-N'-[(2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-9 -yl]tetradecanediamide | C44H68N6O6

N-[(2S,5S)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-8-yl]-N'-[(2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-9 -yl]tetradecanediamide

  • Molecular FormulaC44H68N6O6
  • Average mass777.047 Da
  • Monoisotopic mass776.520020 Da
  • ChemSpider ID23211648

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-(propan-2-yl)-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-8-yl]-N'-[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-(propan-2-yl)-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-9-yl]tetradecanediamide
N-[(2S,5S)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-8-yl]-N'-[(2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-9 -yl]tetradecandiamid [German] [ACD/IUPAC Name]
N-[(2S,5S)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-8-yl]-N'-[(2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-9 -yl]tetradecanediamide [ACD/IUPAC Name]
N-[(2S,5S)-5-(Hydroxyméthyl)-2-isopropyl-1-méthyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-8-yl]-N'-[(2S,5S)-5-(hydroxyméthyl)-2-isopropyl-1-méthyl-3-oxo-1,2,3,4,5,6-hexahydro-1,4-benzodiazocin-9 -yl]tétradécanediamide [French] [ACD/IUPAC Name]
Tetradecanediamide, N1-[(2S,5S)-1,2,3,4,5,6-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3-oxo-1,4-benzodiazocin-8-yl]-N14-[(2S,5S)-1,2,3,4,5,6-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1- methylethyl)-3-oxo-1,4-benzodiazocin-9-yl]- [ACD/Index Name]
tetradecanediamide, N1-[(2S,5S)-1,2,3,4,5,6-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3-oxo-1,4-benzodiazocin-8-yl]-N14-[(2S,5S)-1,2,3,4,5,6-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3-oxo-1,4-benzodiazocin-9-yl]-
CHEMBL337834
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL337834/
Tetradecanedioic acid ((S)-5-hydroxymethyl-2-isopropyl-1-methyl-3-(S)-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide ((S)-5-hydroxymethyl-2-isopropyl-1-(S)-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-9-yl)-amide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1035.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.6±3.0 kJ/mol
Flash Point: 580.0±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 222.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2434.99
ACD/KOC (pH 5.5): 9194.10
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2471.55
ACD/KOC (pH 7.4): 9332.16
Polar Surface Area: 163 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 694.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement