ChemSpider 2D Image | N~2~-[(2S)-5-Amino-2-ammonio-5-oxopentanoyl]-N~5~-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-leucyl-L-seryl-L-histidyl-6-ammonio-L-norleucylglycyl-L-prolyl-L-met hionyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide | C69H114N23O16S

N2-[(2S)-5-Amino-2-ammonio-5-oxopentanoyl]-N5-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N5-[amino(iminio)methyl]-L-ornithyl-L-leucyl-L-seryl-L-histidyl-6-ammonio-L-norleucylglycyl-L-prolyl-L-met hionyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide

  • Molecular FormulaC69H114N23O16S
  • Average mass1553.851 Da
  • Monoisotopic mass1552.851807 Da
  • ChemSpider ID128920021

  • Charge - Charge

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

L-Phenylalanine, L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-, inner salt, conjugate triacid [ACD/Index Name]
N2-[(2S)-5-Amino-2-ammonio-5-oxopentanoyl]-N5-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N5-[amino(iminio)methyl]-L-ornithyl-L-leucyl-L-seryl-L-histidyl-6-ammonio-L-norleucylglycyl-L-prolyl-L-met hionyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamid [German] [ACD/IUPAC Name]
N2-[(2S)-5-Amino-2-ammonio-5-oxopentanoyl]-N5-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N5-[amino(iminio)methyl]-L-ornithyl-L-leucyl-L-seryl-L-histidyl-6-ammonio-L-norleucylglycyl-L-prolyl-L-met hionyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide [ACD/IUPAC Name]
N2-[(2S)-5-Amino-2-ammonio-5-oxopentanoyl]-N5-[amino(iminio)méthyl]-L-ornithyl-L-prolyl-N5-[amino(iminio)méthyl]-L-ornithyl-L-leucyl-L-séryl-L-histidyl-6-ammonio-L-norleucylglycyl-L-prolyl-L-mét hionyl-N-[(1S)-1-carboxylato-2-phényléthyl]-L-prolinamide [French] [ACD/IUPAC Name]
Apelin-13
apelin-13 peptide(3+)
apelin-13(3+)
Gln-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe(3+)
L-Gln-L-Arg-L-Pro-L-Arg-L-Leu-L-Ser-L-His-L-Lys-L-Gly-L-Pro-L-Met-L-Pro-L-Phe(3+)
L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanine(3+)
  • Miscellaneous

    • Chemical Class:

      A peptide cation obtained from the protonation of the N-terminus amino group and L-arginyl side chains, and deprotonation of the C-terminus carboxy group of apelin-13. It is the major species at pH 7. 3. ChEBI CHEBI:147395

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 663 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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