ChemSpider 2D Image | Apelin-13 | C69H111N23O16S

Apelin-13

  • Molecular FormulaC69H111N23O16S
  • Average mass1550.829 Da
  • Monoisotopic mass1549.829956 Da
  • ChemSpider ID17287174

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

217082-58-1 [RN]
Apelin-13
L-Glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
L-Glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
L-Glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-séryl-L-histidyl-L-lysylglycyl-L-prolyl-L-méthionyl-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl- [ACD/Index Name]
(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]hexanamido]acetyl}pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]hexanamido]acetyl}pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acidNA
[¹²⁵I]apelin-13
[Pyr1]-Apelin-13
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  • Miscellaneous

    • Chemical Class:

      A 13 amino acid oligopeptide which is the ligand for the apelin receptor (also known as the APJ receptor). It exhibits hypotensive and neuroprotective effects, and may be a potential prognostic biomar ker for acute ischemic stroke and multiple sclerosis. ChEBI CHEBI:80131

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 393.7±0.5 cm3
#H bond acceptors: 39
#H bond donors: 26
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 3
ACD/LogP: -3.42
ACD/LogD (pH 5.5): -10.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 653 Å2
Polarizability: 156.1±0.5 10-24cm3
Surface Tension: 68.7±7.0 dyne/cm
Molar Volume: 1032.3±7.0 cm3

Click to predict properties on the Chemicalize site


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