(Pyr1)apelin-13
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular Identity
(Pyr1)apelin-13
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
PubChem CID: 25085173
P-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe is a thirteen-membered polypeptide consisting of p-Glu, Arg, Pro, Arg, Leu, Ser, His, Lys, Gly, Pro, Met, Pro and Phe residues joined in sequence. It has a role as a neuroprotective agent, an apoptosis inhibitor and a human metabolite. It is a tautomer of a [Pyr1]apelin-13(2+).
2D Structure
Properties
C69H108N22O16S
Molecular Formula
1533.80
Molecular Weight
g/mol
1532.8034
Exact Mass
Da
-5.9
XLogP
Drug-like (Lipinski: < 5)
618
TPSA
May have limited oral absorption
18
H-Bond Donors
21
H-Bond Acceptors
3160
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
(Pyr1)apelin-13[Pyr1]apelin-13p-Glu-RPRLSHKGPMPFCHEBI:138186p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-PheL-p-Glu-L-Arg-L-Pro-L-Arg-L-Leu-L-Ser-L-His-L-Lys-Gly-L-Pro-L-Met-L-Pro-L-Phe5-oxo-L-prolyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanineL-Phenylalanine, 5-oxo-L-Prolyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-Glu1-apelin-13RefChem:70209217082-60-5(Glp1)-Apelin-13(pGlu1)apelin-13Pyr-apelin-13CHEMBL3184840
Data from PubChem (NCBI)
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