Dynorphin (3-13)
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
Also Known As: Dynorphin (3-13)|Dynorphin A(3-13)|(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanamido]-4-methylpentanamido]hexanoic acid|(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid|Dynorphin A (pig), 1-de-L-tyrosine-2-deglycine-14-de-L-tryptophan-15-de-L-aspartic acid-16-de-L-asparagine-17-de-L-glutamine-|Glycyl-L-phenylalanyl-L-leucyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithyl-L-isoleucyl-N~5~-(diaminomethylidene)-L-ornithyl-L-prolyl-L-lysyl-L-leucyl-L-lysine
| Molecular Formula | C64H114N22O12 |
|---|---|
| Molecular Weight | 1382.8987 g/mol |
| LogP | -3.8163 |
| Topological Polar Surface Area | 590.77 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 48 |
| Exact Mass | 1382.8987 |
| Monoisotopic Mass | 1382.8987 |
| Heavy Atoms | 98 |
| Complexity | 2798.624 |
Chemical Identifiers
| CAS Number | 89202-80-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN |
Product Overview
Dynorphin (3-13) (CAS 89202-80-2), with molecular formula C64H114N22O12 and molecular weight 1382.8987 g/mol. IUPAC: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid.