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Home/Compounds/Pharmaceutical Intermediate/Linaclotide Impurity 3(Acylated Linaclotide)
C61H81N15O22S6
1568.8 g/mol
Pharmaceutical Intermediate

Linaclotide Impurity 3(Acylated Linaclotide)

CAS1422389-17-0
Category
Pharmaceutical Intermediate
Compound Class
Peptide
Primary Use
Pharmaceutical Intermediate

Linaclotide Impurity 3 (Acylated Linaclotide) is a peptide-based impurity reference standard used primarily in quality control for the pharmaceutical ingredient linaclotide. It is an acetylated variant of linaclotide, featuring multiple disulfide bridges and a complex cyclic peptide structure.

Impurity reference standard for linaclotideLaboratory reagent for pharmaceutical quality control

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongStructure SimilarSimilarity 0.88

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SimilarStructure SimilarSimilarity 0.83

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Identifiers
IUPAC Name

(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-acetamido-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

InChIKey

MBPKFFIYHUXYJT-DHDUGXGCSA-N

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](C(=O)N3)NC(=O)C)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O

Synonyms (1)

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