ChemSpider 2D Image | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-1-carbamoyl-2-methyl-propyl]-5-guanidino-pentanamide | C44H69N15O9S

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-1-carbamoyl-2-methyl-propyl]-5-guanidino-pentanamide

  • Molecular FormulaC44H69N15O9S
  • Average mass984.179 Da
  • Monoisotopic mass983.512329 Da
  • ChemSpider ID8209487

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-N5-(diaminomethylen)-L-ornithyl-N5-(diaminomethylen)-L-ornithyl-L-valinamid [German] [ACD/IUPAC Name]
L-Tyrosylglycylglycyl-L-phénylalanyl-L-méthionyl-N5-(diaminométhylène)-L-ornithyl-N5-(diaminométhylène)-L-ornithyl-L-valinamide [French] [ACD/IUPAC Name]
88377-68-8 [RN]
adrenorphin
H-Tyr-Gly-Gly-Phe-Met-Arg-Arg-Val-NH2
Metorphamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.657
    Molar Refractivity: 254.1±0.5 cm3
    #H bond acceptors: 24
    #H bond donors: 20
    #Freely Rotating Bonds: 31
    #Rule of 5 Violations: 3
    ACD/LogP: -0.96
    ACD/LogD (pH 5.5): -6.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 447 Å2
    Polarizability: 100.8±0.5 10-24cm3
    Surface Tension: 62.4±7.0 dyne/cm
    Molar Volume: 691.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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