[Pyr1]apelin-13 (human)

Chemical Information
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+).
| CAS Number | 217082-60-5 |
| PubChem CID | 25085173 |
| IUPAC Name | (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 Formula | C69H108N22O16S |
| Molecular Weight | 1533.8 |
| XLogP | -5.9 |
| Topological Polar Surface Area | 618 |
| Hydrogen Bond Donor Count | 18 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 44 |
| Heavy Atom Count | 108 |
| Formal Charge | 0 |
| Complexity | 3160 |
| Property | Value |
|---|---|
| Molecular Weight | 1533.8 |
| XLogP3 | -5.9 |
| Hydrogen Bond Donor Count | 18 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 44 |
| Exact Mass | 1532.80343662 |
| Monoisotopic Mass | 1532.80343662 |
| Topological Polar Surface Area | 618 Ų |
| Heavy Atom Count | 108 |
| Formal Charge | 0 |
| Complexity | 3160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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