ChemSpider 2D Image | N~6~-[Benzyl(4-pyridinylmethyl)carbamoyl]-N~2~-isobutyl-N~2~-[(4-methylphenyl)sulfonyl]-L-lysine | C31H40N4O5S

N6-[Benzyl(4-pyridinylmethyl)carbamoyl]-N2-isobutyl-N2-[(4-methylphenyl)sulfonyl]-L-lysine

  • Molecular FormulaC31H40N4O5S
  • Average mass580.738 Da
  • Monoisotopic mass580.271912 Da
  • ChemSpider ID448225

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Lysine, N2-[(4-methylphenyl)sulfonyl]-N2-(2-methylpropyl)-N6-[[(phenylmethyl)(4-pyridinylmethyl)amino]carbonyl]- [ACD/Index Name]
N6-[Benzyl(4-pyridinylmethyl)carbamoyl]-N2-isobutyl-N2-[(4-methylphenyl)sulfonyl]-L-lysin [German] [ACD/IUPAC Name]
N6-[Benzyl(4-pyridinylmethyl)carbamoyl]-N2-isobutyl-N2-[(4-methylphenyl)sulfonyl]-L-lysine [ACD/IUPAC Name]
N6-[Benzyl(4-pyridinylméthyl)carbamoyl]-N2-isobutyl-N2-[(4-méthylphényl)sulfonyl]-L-lysine [French] [ACD/IUPAC Name]
N6-[benzyl(pyridin-4-ylmethyl)carbamoyl]-N2-[(4-methylphenyl)sulfonyl]-N2-(2-methylpropyl)-L-lysine
(S)-6-(3-Benzyl-3-pyridin-4-ylmethyl-ureido)-2-[isobutyl-(toluene-4-sulfonyl)-amino]-hexanoic acid
Lysine Sulfonamide 6h
N6-{[Benzyl(pyridin-4-ylmethyl)amino]carbonyl}-N2-isobutyl-N2-[(4-methylphenyl)sulfonyl]-L-lysine

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

AIDS189388 [DBID]
AIDS-189388 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 10.08
ACD/KOC (pH 5.5): 43.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 128 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 476.0±3.0 cm3

Click to predict properties on the Chemicalize site


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