(2S,3S,4S,5S,6R)-6-ethoxy-3,4,5-tris(oxidanyl)-6-[(propan-2-ylamino)methyl]-5-(2-prop-2-enoxyphenoxy)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5S,6R)-6-ethoxy-3,4,5-tris(oxidanyl)-6-[(propan-2-ylamino)methyl]-5-(2-prop-2-enoxyphenoxy)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5S,6R)-5-(2-allyloxyphenoxy)-6-ethoxy-3,4,5-trihydroxy-6-[(isopropylamino)methyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5S,6R)-6-ethoxy-3,4,5-trihydroxy-6-[(propan-2-ylamino)methyl]-5-(2-prop-2-enoxyphenoxy)-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5S,6R)-6-ethoxy-3,4,5-trihydroxy-6-[(propan-2-ylamino)methyl]-5-(2-prop-2-enoxyphenoxy)oxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5S,6R)-5-(2-allyloxyphenoxy)-6-ethoxy-3,4,5-trihydroxy-6-[(isopropylamino)methyl]tetrahydropyran-2-carboxylic acid Formula: C21H31NO9 MolecularWeight: 441.47214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C(C(C(C(O1)C(=O)O)O)O)(O)OC2=CC=CC=C2OCC=C)CNC(C)C

Isomeric SMILES

CCO[C@]1([C@@]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)(O)OC2=CC=CC=C2OCC=C)CNC(C)C

InChI

InChI=1S/C21H31NO9/c1-5-11-28-14-9-7-8-10-15(14)30-21(27)18(24)16(23)17(19(25)26)31-20(21,29-6-2)12-22-13(3)4/h5,7-10,13,16-18,22-24,27H,1,6,11-12H2,2-4H3,(H,25,26)/t16-,17+,18+,20-,21+/m1/s1