2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methylamino]-3,4,5-tris(oxidanyl)-3-phenylazanyl-oxane-2-carboxylic acid

Systemtic Name: 2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methylamino]-3,4,5-tris(oxidanyl)-3-phenylazanyl-oxane-2-carboxylic acid Openeye Name: 3-anilino-2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methylamino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-anilino-2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methylamino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 3-anilino-2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 3-anilino-2-(carbethoxyamino)-5-[(4-fluorobenzyl)amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C22H26FN3O8 MolecularWeight: 479.455543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(C(C(C(CO1)(NCC2=CC=C(C=C2)F)O)O)(NC3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CCOC(=O)NC1(C(C(C(CO1)(NCC2=CC=C(C=C2)F)O)O)(NC3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C22H26FN3O8/c1-2-33-19(30)26-22(18(28)29)21(32,25-16-6-4-3-5-7-16)17(27)20(31,13-34-22)24-12-14-8-10-15(23)11-9-14/h3-11,17,24-25,27,31-32H,2,12-13H2,1H3,(H,26,30)(H,28,29)