ChemSpider 2D Image | N-[(2R)-1-{[(2R)-1-{[(2R)-6-Amino-1-(4-amino-4-carboxy-1-piperidinyl)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-3-phenyl-2-propanyl]-D-(2,3,4,5,6-~2~H_5_)phenylalaninamide | C36H48D5N7O6

N-[(2R)-1-{[(2R)-1-{[(2R)-6-Amino-1-(4-amino-4-carboxy-1-piperidinyl)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-3-phenyl-2-propanyl]-D-(2,3,4,5,6-2H5)phenylalaninamide

  • Molecular FormulaC36H48D5N7O6
  • Average mass684.880 Da
  • Monoisotopic mass684.437134 Da
  • ChemSpider ID128942960

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-Piperidinecarboxylic acid, 4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-(phenyl-d5)propyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]- [ACD/Index Name]
N-[(2R)-1-{[(2R)-1-{[(2R)-6-Amino-1-(4-amino-4-carboxy-1-piperidinyl)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-3-phenyl-2-propanyl]-D-(2,3,4,5,6-2H5)phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2R)-1-{[(2R)-1-{[(2R)-6-Amino-1-(4-amino-4-carboxy-1-piperidinyl)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-1-oxo-3-phenyl-2-propanyl]-D-(2,3,4,5,6-2H5)phenylalaninamide [ACD/IUPAC Name]
N-[(2R)-1-{[(2R)-1-{[(2R)-6-Amino-1-(4-amino-4-carboxy-1-pipéridinyl)-1-oxo-2-hexanyl]amino}-4-méthyl-1-oxo-2-pentanyl]amino}-1-oxo-3-phényl-2-propanyl]-D-(2,3,4,5,6-2H5)phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1005.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.7±3.0 kJ/mol
Flash Point: 561.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 559.6±3.0 cm3

Click to predict properties on the Chemicalize site


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