(2S,3R,4S)-2-(hydroxymethyl)-N-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-3,4,5,5-tetrakis(oxidanyl)-N'-(phenylmethyl)piperidine-1-carboximidamide

Systemtic Name: (2S,3R,4S)-2-(hydroxymethyl)-N-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-3,4,5,5-tetrakis(oxidanyl)-N'-(phenylmethyl)piperidine-1-carboximidamide Openeye Name: (2S,3R,4S)-N'-benzyl-3,4,5,5-tetrahydroxy-2-(hydroxymethyl)-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]piperidine-1-carboxamidine CAS Name: (2S,3R,4S)-3,4,5,5-tetrahydroxy-2-(hydroxymethyl)-N'-(phenylmethyl)-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]methyl]-1-piperidinecarboximidamide IUPAC Name: (2S,3R,4S)-N'-benzyl-3,4,5,5-tetrahydroxy-2-(hydroxymethyl)-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]piperidine-1-carboximidamide Traditional Name: (2S,3R,4S)-N'-benzyl-3,4,5,5-tetrahydroxy-2-methylol-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]piperidine-1-carboxamidine Formula: C21H33N3O10 MolecularWeight: 487.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CNC(=NCC2=CC=CC=C2)N3CC(C(C(C3CO)O)O)(O)O)O)O)O

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CNC(=NCC2=CC=CC=C2)N3CC([C@H]([C@@H]([C@@H]3CO)O)O)(O)O)O)O)O

InChI

InChI=1S/C21H33N3O10/c1-33-19-17(29)16(28)15(27)13(34-19)8-23-20(22-7-11-5-3-2-4-6-11)24-10-21(31,32)18(30)14(26)12(24)9-25/h2-6,12-19,25-32H,7-10H2,1H3,(H,22,23)/t12-,13+,14+,15+,16-,17+,18-,19-/m0/s1