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Asp7 Linaclotide Impurity

SZ CAT No SZ-L076004
CAS No NA
Mol.F. C59H78N14O22S6
Mol.Wt. 1527.7
Inv. Status Custom Synthesis


Chemical Name: ((2S,5R,8S,14R,19R,22S,25S,28R,31R,36R,39S,41aS)-31-Amino-25-(2-carboxyethyl)-39-(carboxymethyl)-22-(4-hydroxybenzyl)-8-((R)-1-hydroxyethyl)-2-methyl-3,6,9,12,21,24,27,30,37,40,41,47-dodecaoxooctatriacontahydro-1H,18H,35H-36,19-(epiminomethano)-5,28-(methanodithiomethano)pyrrolo[1,2-r][1,2,27,28]tetrathia[5,8,11,14,17,18,23,32,35,38,41]undecaazacyclotritetracontine-14-carbonyl)-L-tyrosine

Smiles: [H]N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@H](C1=O)CSSC[C@H](N2)C(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)=O)CC4=CC=C(O)C=C4)=O)=O)CSSC[C@H](N5)C(N[C@]([C@@H](C)O)([H])C(NCC2=O)=O)=O)=O)CSSC[C@H](N1)C(N[C@H](C(N6CCC[C@H]6C(N[C@H](C5=O)C)=O)=O)CC(O)=O)=O

Inchi: InChI=1S/C15H22Cl2N2O3/c16-5-7-19(8-10-22-9-6-17)13-3-1-12(2-4-13)11-14(18)15(20)21/h1-4,14H,5-11,18H2,(H,20,21)/t14-/m0/s1