Linaclotide acetate
acetic acid;(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-amino-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
Molecular Identity
Linaclotide acetate
acetic acid;(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-amino-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
PubChem CID: 16158207
2D Structure
Properties
C61H83N15O23S6
Molecular Formula
1586.80
Molecular Weight
g/mol
1585.4111
Exact Mass
Da
763
TPSA
May have limited oral absorption
20
H-Bond Donors
30
H-Bond Acceptors
3060
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Linaclotide acetate851199-60-5MD-1100 acetateMM-416775NSF067KU1ML-Tyrosine, L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (1->6),(2->10),(5->13)-tris(disulfide), monoacetate (salt)RefChem:924775UNII-NSF067KU1MLinaclotide acetate [USAN]Linaclotide acetate (USAN)MM 416775orb1992804CHEMBL3301676SCHEMBL29355565DTXSID60583223
Data from PubChem (NCBI)
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