Dolcanatide

Overview

Dolcanatide is a protein active pharmaceutical ingredient (ChEMBL CHEMBL3545122).

Chemical identity

IUPAC name

(2R)-2-[[(4R,10S,13R,18R,21S,24S,27R)-18-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-21-(2-carboxyethyl)-27-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]-13-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-24-(2-methylpropyl)-6,9,12,19,22,25-hexaoxo-1,2,15,16-tetrathia-5,8,11,20,23,26-hexazacyclooctacosane-4-carbonyl]amino]-4-methylpentanoic acid

Canonical SMILES

C[C@H]([C@H]1C(=O)NCC(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)N)N)CCC(=O)O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)N[C@H](CC(C)C)C(=O)O)O

InChIKey

WGEWYYPHYMGJNT-HLHYUOOASA-N