(2S)-5-butyl-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]piperidine-2-carboxamide

Systemtic Name: (2S)-5-butyl-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]piperidine-2-carboxamide Openeye Name: (2S)-5-butyl-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]piperidine-2-carboxamide CAS Name: (2S)-5-butyl-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-2-piperidinecarboxamide IUPAC Name: (2S)-5-butyl-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]piperidine-2-carboxamide Traditional Name: (2S)-5-butyl-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]pipecolinamide Formula: C20H38N2O5S MolecularWeight: 418.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(NC1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)C

Isomeric SMILES

CCCCC1CC[C@H](NC1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)C

InChI

InChI=1S/C20H38N2O5S/c1-5-6-7-12-8-9-13(21-10-12)19(26)22-14(11(2)3)18-16(24)15(23)17(25)20(27-18)28-4/h11-18,20-21,23-25H,5-10H2,1-4H3,(H,22,26)/t12?,13-,14+,15-,16+,17+,18+,20+/m0/s1