5-azanyl-4-oxidanyl-2-(2-phenylethanoyloxy)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-azanyl-4-oxidanyl-2-(2-phenylethanoyloxy)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-amino-4-hydroxy-2-(2-phenylacetyl)oxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-amino-4-hydroxy-2-(1-oxo-2-phenylethoxy)-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-amino-4-hydroxy-2-(2-phenylacetyl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-amino-4-hydroxy-2-(2-phenylacetyl)oxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C17H23NO9 MolecularWeight: 385.36582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1(C(=O)O)OC(=O)CC2=CC=CC=C2)C(C(CO)O)O)N)O

Isomeric SMILES

C1C(C(C(OC1(C(=O)O)OC(=O)CC2=CC=CC=C2)C(C(CO)O)O)N)O

InChI

InChI=1S/C17H23NO9/c18-13-10(20)7-17(16(24)25,27-15(13)14(23)11(21)8-19)26-12(22)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,19-21,23H,6-8,18H2,(H,24,25)