ChemSpider 2D Image | LECIRELIN | C59H84N16O12

LECIRELIN

  • Molecular FormulaC59H84N16O12
  • Average mass1209.398 Da
  • Monoisotopic mass1208.645508 Da
  • ChemSpider ID25027162

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-methyl-D-valyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-methyl-D-valyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-séryl-L-tyrosyl-3-méthyl-D-valyl-L-leucyl-L-arginyl-N-éthyl-L-prolinamide [French] [ACD/IUPAC Name]
61012-19-9 [RN]
LECIRELIN
L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-methyl-D-valyl-L-leucyl-L-arginyl-N-ethyl- [ACD/Index Name]
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
(Des-Gly10,tBu-D-Gly6,Pro-NHEt9)-LHRH
(S)-1-(((R)-2-((S)-2-((S)-2-((S)-2-((S)-3-(1H-imidazol-4-yl)-2-((S)-5-oxopyrrolidine-2-carboxamido)propanamido)-3-(1H-indol-3-yl)propanamido)-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3,3-dimethylbutanoyl)-L-leucyl-L-arginyl)-N-ethylpyrrolidine-2-carboxamide
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-methyl-D-valyl-L-leucyl-N5-(diaminomethylidene)-L-ornithyl-N-ethyl-L-prolinamide
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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: 1.678
    Molar Refractivity: 316.3±0.5 cm3
    #H bond acceptors: 28
    #H bond donors: 17
    #Freely Rotating Bonds: 32
    #Rule of 5 Violations: 3
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): -3.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 429 Å2
    Polarizability: 125.4±0.5 10-24cm3
    Surface Tension: 61.2±7.0 dyne/cm
    Molar Volume: 839.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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