ChemSpider 2D Image | N~5~-Carbamoyl-N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithine | C18H24N6O5

N5-Carbamoyl-N2-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithine

  • Molecular FormulaC18H24N6O5
  • Average mass404.420 Da
  • Monoisotopic mass404.180817 Da
  • ChemSpider ID22872323

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Ornithine, N5-(aminocarbonyl)-N2-[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butyl]- [ACD/Index Name]
N5-Carbamoyl-N2-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithin [German] [ACD/IUPAC Name]
N5-Carbamoyl-N2-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithine [ACD/IUPAC Name]
N5-Carbamoyl-N2-[(2S)-3-méthyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithine [French] [ACD/IUPAC Name]
(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid
(S)-2-((S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)-5-ureidopentanoic acid
1014089-86-1 [RN]
2-[3-Methyl-2-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-butyrylamino]-5-ureido-pentanoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.663
    Molar Refractivity: 102.4±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 0.38
    ACD/LogD (pH 5.5): -2.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 167 Å2
    Polarizability: 40.6±0.5 10-24cm3
    Surface Tension: 61.4±7.0 dyne/cm
    Molar Volume: 276.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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