Primary Record
Linaclotide Impurity 12 (Formaldehyde Imine Cys1)
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177835243
- SMILES
- C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@H]5C(=O)N3CN5)C(=O)N[C@H](C(=O)N6CCC[C@H]6C(=O)N1)CC(=O)N)CC7=CC=C(C=C7)O)CCC(=O)O
- Canonical SMILES
- C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NCN(C3=O)[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2
Names & Synonyms
- Linaclotide Impurity 12 (Formaldehyde Imine Cys1)
- ((3S,6R,9S,15R,20R,23S,26S,29R,33R,38R,41S,46aS)-41-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,39,42,48,49-dodecaoxotetracontahydro-19H-38,20-(epiminomethano)-30,33-methano-6,29-(methanodithiomethano)pyrrolo[2,1-k1][1,2,19,20]tetrathia[5,7,10,13,16,23,26,29,32,35,38,41]dodecaazacyclotetratetracontine-15-carbonyl)-L-tyrosine