(2S,4R)-4-ethyl-1-(2-hydroxyethyl)-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,4R)-4-ethyl-1-(2-hydroxyethyl)-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,4R)-4-ethyl-1-(2-hydroxyethyl)-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,4R)-4-ethyl-1-(2-hydroxyethyl)-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-2-piperidinecarboxamide IUPAC Name: (2S,4R)-4-ethyl-1-(2-hydroxyethyl)-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,4R)-4-ethyl-1-(2-hydroxyethyl)-N-[(1R)-2-methyl-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]pipecolinamide Formula: C20H38N2O6S MolecularWeight: 434.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)C)CCO

Isomeric SMILES

CC[C@@H]1CCN([C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)C)CCO

InChI

InChI=1S/C20H38N2O6S/c1-5-12-6-7-22(8-9-23)13(10-12)19(27)21-14(11(2)3)18-16(25)15(24)17(26)20(28-18)29-4/h11-18,20,23-26H,5-10H2,1-4H3,(H,21,27)/t12-,13+,14-,15+,16-,17-,18-,20-/m1/s1