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

Systemtic Name: 2-acetamido-5-[(4-fluorophenyl)methylamino]-3,4,5-tris(oxidanyl)-3-phenylazanyl-oxane-2-carboxylic acid Openeye Name: 2-acetamido-3-anilino-5-[(4-fluorophenyl)methylamino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 2-acetamido-3-anilino-5-[(4-fluorophenyl)methylamino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 2-acetamido-3-anilino-5-[(4-fluorophenyl)methylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 2-acetamido-3-anilino-5-[(4-fluorobenzyl)amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C21H24FN3O7 MolecularWeight: 449.429563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C21H24FN3O7/c1-13(26)24-21(18(28)29)20(31,25-16-5-3-2-4-6-16)17(27)19(30,12-32-21)23-11-14-7-9-15(22)10-8-14/h2-10,17,23,25,27,30-31H,11-12H2,1H3,(H,24,26)(H,28,29)