Myelin peptide amide-12
Basic information
- CAS
141311-86-6- Standard SMILES
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O- InChIKey
WGACMNAUEGCUHG-VYBOCCTBSA-N- Molecular formula
- C62H105N23O18
- Average molar mass
- 1,460.6 g/mol
- Monoisotopic mass
- 1,459.80079359
Overview
amino acid sequence given in first source; identical to the first twelve residues of the N-terminus of myelin basic protein
Names & identifiers
- Preferred name
- Myelin peptide amide-12
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide
- English name
- myelin peptide amide-12
- Molecular formula
- C62H105N23O18
- Molecular weight
- 1460.64
Names & synonyms
Myelin peptide amide-12Mpa-12141311-86-6DTXSID20161682Ac-Ala-ala-gln-lys-arg-pro-ser-gln-arg-ser-lys-tyr-amideAcetyl-alanyl-alanyl-glutaminyl-lysyl-arginyl-prolyl-seryl-glutaminyl-arginyl-seryl-lysyl-tyrosinamideRefChem:160344DTXCID2084173SCHEMBL29504125L-Tyrosinamide, N-acetyl-L-alanyl-L-alanyl-L-glutaminyl-L-lysyl-L-arginyl-L-prolyl-L-seryl-L-glutaminyl-L-arginyl-L-seryl-L-lysyl-N-Acetyl-L-alanyl-L-alanyl-L-glutaminyl-L-lysyl-N~5~-(diaminomethylidene)-L-ornithyl-L-prolyl-L-seryl-L-glutaminyl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-lysyl-L-tyrosinamideL-Tyrosinamide, N-acetyl-L-alanyl-L-alanyl-L-glutaminyl-L-lysyl-L-arginyl-L-prolyl-L-seryl-L-glutaminyl-L-arginyl-L-seryl-L-lysyl- (9CI)
Show more names
(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide
Properties
Computed structural properties
- XLogP
- -9.7
- Topological polar surface area
- 711 Ų
- Hydrogen bond donors
- 23
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 49
- Heavy atoms
- 103
- Formal charge
- 0
- Complexity
- 2,930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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