ChemSpider 2D Image | chymostatin | C31H41N7O6

chymostatin

  • Molecular FormulaC31H41N7O6
  • Average mass607.701 Da
  • Monoisotopic mass607.311829 Da
  • ChemSpider ID26329532

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

chymostatin
D-Phenylalanine, N-[[[(1R)-2-[[(1R)-1-[[[(1R)-1-formyl-2-phenylethyl]amino]carbonyl]-3-methylbutyl]amino]-1-[(2E,4R)-hexahydro-2-imino-4-pyrimidinyl]-2-oxoethyl]amino]carbonyl]- [ACD/Index Name]
N-{[(1R)-1-[(2E,4R)-2-Iminohexahydro-4-pyrimidinyl]-2-{[(2R)-4-methyl-1-oxo-1-{[(2R)-1-oxo-3-phenyl-2-propanyl]amino}-2-pentanyl]amino}-2-oxoethyl]carbamoyl}-D-phenylalanin [German] [ACD/IUPAC Name]
N-{[(1R)-1-[(2E,4R)-2-Iminohexahydro-4-pyrimidinyl]-2-{[(2R)-4-methyl-1-oxo-1-{[(2R)-1-oxo-3-phenyl-2-propanyl]amino}-2-pentanyl]amino}-2-oxoethyl]carbamoyl}-D-phenylalanine [ACD/IUPAC Name]
N-{[(1R)-1-[(2E,4R)-2-Iminohexahydro-4-pyrimidinyl]-2-{[(2R)-4-méthyl-1-oxo-1-{[(2R)-1-oxo-3-phényl-2-propanyl]amino}-2-pentanyl]amino}-2-oxoéthyl]carbamoyl}-D-phénylalanine [French] [ACD/IUPAC Name]
(2R)-2-({[(R)-[(4R)-2-imino-1,3-diazinan-4-yl]({[(1R)-3-methyl-1-{[(2R)-1-oxo-3-phenylpropan-2-yl]carbamoyl}butyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid
(2R,6R,9R,12R)-2,12-dibenzyl-6-((R)-2-iminohexahydropyrimidin-4-yl)-9-isobutyl-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acid
5-Methoxy-benzo[b]thiophene-2-carbaldehyde
9076-44-2 [RN]

    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: 1.640
    Molar Refractivity: 162.8±0.5 cm3
    #H bond acceptors: 13
    #H bond donors: 8
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 4.00
    ACD/LogD (pH 5.5): -0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 202 Å2
    Polarizability: 64.5±0.5 10-24cm3
    Surface Tension: 55.1±7.0 dyne/cm
    Molar Volume: 452.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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