ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-{(3S)-1-[(3,5-dimethoxybenzyl)amino]-1,2-dioxo-3-pentanyl}-L-leucinamide | C28H37N3O7

N2-[(Benzyloxy)carbonyl]-N-{(3S)-1-[(3,5-dimethoxybenzyl)amino]-1,2-dioxo-3-pentanyl}-L-leucinamide

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID64855230

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[[(1S)-3-[[(3,5-dimethoxyphenyl)methyl]amino]-1-ethyl-2,3-dioxopropyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-{(3S)-1-[(3,5-dimethoxybenzyl)amino]-1,2-dioxo-3-pentanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{(3S)-1-[(3,5-dimethoxybenzyl)amino]-1,2-dioxo-3-pentanyl}-L-leucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{(3S)-1-[(3,5-diméthoxybenzyl)amino]-1,2-dioxo-3-pentanyl}-L-leucinamide [French] [ACD/IUPAC Name]
144231-85-6 [RN]
benzyl ((S)-1-(((S)-1-((3,5-dimethoxybenzyl)amino)-1,2-dioxopentan-3-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
Calpain-2-IN-1
CARBAMIC ACID, [(1S)-1-[[[(1S)-3-[[(3,5-DIMETHOXYPHENYL)METHYL]AMINO]-1-ETHYL-2,3-DIOXOPROPYL]AMINO]CARBONYL]-3-METHYLBUTYL]-, PHENYLMETHYL ESTER (9CI)
MFCD28400876

    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: 1.541
    Molar Refractivity: 141.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 3.58
    ACD/BCF (pH 5.5): 310.20
    ACD/KOC (pH 5.5): 2114.10
    ACD/LogD (pH 7.4): 3.58
    ACD/BCF (pH 7.4): 310.03
    ACD/KOC (pH 7.4): 2112.92
    Polar Surface Area: 132 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 451.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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