Found 3 results

Search term: KEDBAZLDJVHMAV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-N-{(2R)-5-Carbamimidamido-1-[(cyclohexylmethyl)amino]-1-oxo-2-pentanyl}-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | C33H44N6O4

(3R)-N-{(2R)-5-Carbamimidamido-1-[(cyclohexylmethyl)amino]-1-oxo-2-pentanyl}-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID111307821

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-N-{(2R)-5-Carbamimidamido-1-[(cyclohexylmethyl)amino]-1-oxo-2-pentanyl}-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
(3R)-N-{(2R)-5-Carbamimidamido-1-[(cyclohexylméthyl)amino]-1-oxo-2-pentanyl}-2-(4-oxo-4-phénylbutanoyl)-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
(3R)-N-{(2R)-5-Carbamimidamido-1-[(cyclohexylmethyl)amino]-1-oxo-2-pentanyl}-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
3-Isoquinolinecarboxamide, N-[(1R)-4-[(aminoiminomethyl)amino]-1-[[(cyclohexylmethyl)amino]carbonyl]butyl]-2-(1,4-dioxo-4-phenylbutyl)-1,2,3,4-tetrahydro-, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 11.42
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 11.45
Polar Surface Area: 157 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 456.3±7.0 cm3

Click to predict properties on the Chemicalize site


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