ChemSpider 2D Image | N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-isoleucyl}-4-piperidinyl)carbonyl]-L-leucine | C25H39N3O6S

N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-isoleucyl}-4-piperidinyl)carbonyl]-L-leucine

  • Molecular FormulaC25H39N3O6S
  • Average mass509.659 Da
  • Monoisotopic mass509.255951 Da
  • ChemSpider ID17467481

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Leucine, N-[[1-[(2S)-3-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-1-oxopentyl]-4-piperidinyl]carbonyl]- [ACD/Index Name]
N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-isoleucyl}-4-piperidinyl)carbonyl]-L-leucin [German] [ACD/IUPAC Name]
N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-isoleucyl}-4-piperidinyl)carbonyl]-L-leucine [ACD/IUPAC Name]
N-[(1-{N-[(4-Méthylphényl)sulfonyl]-L-isoleucyl}-4-pipéridinyl)carbonyl]-L-leucine [French] [ACD/IUPAC Name]
(2S)-4-methyl-2-(1-((2S)-3-methyl-2-(4-methylphenylsulfonamido)pentanoyl)piperidine-4-carboxamido)pentanoic acid
(2S)-4-methyl-2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]pentanoic acid
956925-65-8 [RN]
MolPort-002-527-907
STOCK1N-55237

    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: 1.546
    Molar Refractivity: 134.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.04
    ACD/LogD (pH 7.4): -0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 141 Å2
    Polarizability: 53.3±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 424.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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