N-[1-[6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propyl]-4-(pyridin-2-ylmethylsulfanyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propyl]-4-(pyridin-2-ylmethylsulfanyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)propyl]-4-(2-pyridylmethylsulfanyl)pyrrolidine-2-carboxamide CAS Name: N-[2-hydroxy-1-[3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-4-(2-pyridinylmethylthio)-2-pyrrolidinecarboxamide IUPAC Name: N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-(pyridin-2-ylmethylsulfanyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-hydroxy-1-[3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-4-(2-pyridylmethylthio)pyrrolidine-2-carboxamide Formula: C20H31N3O6S2 MolecularWeight: 473.60664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1C(C(C(C(O1)SC)O)O)O)NC(=O)C2CC(CN2)SCC3=CC=CC=N3)O

Isomeric SMILES

CC(C(C1C(C(C(C(O1)SC)O)O)O)NC(=O)C2CC(CN2)SCC3=CC=CC=N3)O

InChI

InChI=1S/C20H31N3O6S2/c1-10(24)14(18-16(26)15(25)17(27)20(29-18)30-2)23-19(28)13-7-12(8-22-13)31-9-11-5-3-4-6-21-11/h3-6,10,12-18,20,22,24-27H,7-9H2,1-2H3,(H,23,28)