ChemSpider 2D Image | N-(1-{(2S)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl)glycine | C21H38N6O4

N-(1-{(2S)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl)glycine

  • Molecular FormulaC21H38N6O4
  • Average mass438.564 Da
  • Monoisotopic mass438.295441 Da
  • ChemSpider ID23146323

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Glycine, N-[2-[(2S)-2-[[[3-[(aminoiminomethyl)amino]propyl]amino]carbonyl]-1-piperidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-(1-{(2S)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl)glycin [German] [ACD/IUPAC Name]
N-(1-{(2S)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl)glycine [ACD/IUPAC Name]
N-(1-{(2S)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-pipéridinyl}-3-cyclohexyl-1-oxo-2-propanyl)glycine [French] [ACD/IUPAC Name]
{1-Cyclohexylmethyl-2-[2-(3-guanidino-propylcarbamoyl)-piperidin-1-yl]-2-oxo-ethylamino}-acetic acid(Inogatran)
CHEMBL299617
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL299617/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 321.0±7.0 cm3

Click to predict properties on the Chemicalize site


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