ChemSpider 2D Image | bremelanotide | C50H68N14O10

bremelanotide

  • Molecular FormulaC50H68N14O10
  • Average mass1025.163 Da
  • Monoisotopic mass1024.524292 Da
  • ChemSpider ID8116997
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotrico san-23-carbonsäure [German] [ACD/IUPAC Name]
(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotrico sane-23-carboxylic acid [ACD/IUPAC Name]
1,4,7,10,13,18-Hexaazacyclotricosane-23-carboxylic acid, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(aminoiminomethyl)amino]propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11, 14,17-hexaoxo-9-(phenylmethyl)-, (3S,6S,9R,12S,15S,23S)- [ACD/Index Name]
189691-06-3 [RN]
6Y24O4F92S
8737
Acide (3S,6S,9R,12S,15S,23S)-15-[(N-acétyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylméthyl)-3-(1H-indol-3-ylméthyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacycl otricosane-23-carboxylique [French] [ACD/IUPAC Name]
bremelanotida [Spanish] [INN]
bremelanotide [INN] [USAN]
brémelanotide [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PT-141 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.679
    Molar Refractivity: 268.9±0.5 cm3
    #H bond acceptors: 24
    #H bond donors: 15
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: -1.21
    ACD/LogD (pH 5.5): -4.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 376 Å2
    Polarizability: 106.6±0.5 10-24cm3
    Surface Tension: 62.7±7.0 dyne/cm
    Molar Volume: 712.2±7.0 cm3

    Click to predict properties on the Chemicalize site






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