Found 5 results

Search term: CDPROXZBMHOBTQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2S)-1-{(2R)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl]glycine | C21H38N6O4

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

  • Molecular FormulaC21H38N6O4
  • Average mass438.564 Da
  • Monoisotopic mass438.295441 Da
  • ChemSpider ID66423804

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycine, N-[(1S)-2-[(2R)-2-[[[3-[(aminoiminomethyl)amino]propyl]amino]carbonyl]-1-piperidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[(2S)-1-{(2R)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl]glycin [German] [ACD/IUPAC Name]
N-[(2S)-1-{(2R)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-piperidinyl}-3-cyclohexyl-1-oxo-2-propanyl]glycine [ACD/IUPAC Name]
N-[(2S)-1-{(2R)-2-[(3-Carbamimidamidopropyl)carbamoyl]-1-pipéridinyl}-3-cyclohexyl-1-oxo-2-propanyl]glycine [French] [ACD/IUPAC Name]
Inogatran [INN] [Wiki]

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


Advertisement