ChemSpider 2D Image | Beta-Neoendorphin | C54H77N13O12

β-Neoendorphin

  • Molecular FormulaC54H77N13O12
  • Average mass1100.269 Da
  • Monoisotopic mass1099.581421 Da
  • ChemSpider ID109029

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-ca
77739-21-0 [RN]
L-Proline, L-tyrosylglycylglycyl-L-phenylalanyl-L-leucyl-N5-(diaminomethylene)-L-ornithyl-L-lysyl-L-tyrosyl- [ACD/Index Name]
L-Tyrosylglycylglycyl-L-phenylalanyl-L-leucyl-N5-(diaminomethylen)-L-ornithyl-L-lysyl-L-tyrosyl-L-prolin [German] [ACD/IUPAC Name]
L-Tyrosylglycylglycyl-L-phenylalanyl-L-leucyl-N5-(diaminomethylene)-L-ornithyl-L-lysyl-L-tyrosyl-L-proline [ACD/IUPAC Name]
L-Tyrosylglycylglycyl-L-phénylalanyl-L-leucyl-N5-(diaminométhylène)-L-ornithyl-L-lysyl-L-tyrosyl-L-proline [French] [ACD/IUPAC Name]
β-neo-endorphin
β-Neoendorphin [Wiki]
(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
??-Neoendorphin
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    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: 1.653
    Molar Refractivity: 287.1±0.5 cm3
    #H bond acceptors: 25
    #H bond donors: 18
    #Freely Rotating Bonds: 32
    #Rule of 5 Violations: 3
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): -4.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 418 Å2
    Polarizability: 113.8±0.5 10-24cm3
    Surface Tension: 61.1±7.0 dyne/cm
    Molar Volume: 784.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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