(2S,4R)-N-[(1S,2R)-2-(1H-imidazol-2-ylsulfanyl)-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[(1S,2R)-2-(1H-imidazol-2-ylsulfanyl)-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-[(1S,2R)-2-(1H-imidazol-2-ylsulfanyl)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-[(1S,2R)-2-(1H-imidazol-2-ylthio)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-[(1S,2R)-2-(1H-imidazol-2-ylsulfanyl)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-[(1S,2R)-2-(1H-imidazol-2-ylthio)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide Formula: C21H36N4O5S2 MolecularWeight: 488.66434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)SC3=NC=CN3

Isomeric SMILES

CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)SC3=NC=CN3

InChI

InChI=1S/C21H36N4O5S2/c1-5-6-12-9-13(25(3)10-12)19(29)24-14(11(2)32-21-22-7-8-23-21)18-16(27)15(26)17(28)20(30-18)31-4/h7-8,11-18,20,26-28H,5-6,9-10H2,1-4H3,(H,22,23)(H,24,29)/t11-,12-,13+,14-,15+,16-,17-,18-,20-/m1/s1