4-(4-acetamido-3-azanyl-phenyl)-2-azanyl-3-[(4-fluorophenyl)methyl]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 4-(4-acetamido-3-azanyl-phenyl)-2-azanyl-3-[(4-fluorophenyl)methyl]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 4-(4-acetamido-3-amino-phenyl)-2-amino-3-[(4-fluorophenyl)methyl]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 4-(4-acetamido-3-aminophenyl)-2-amino-3-[(4-fluorophenyl)methyl]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 4-(4-acetamido-3-aminophenyl)-2-amino-3-[(4-fluorophenyl)methyl]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 4-(4-acetamido-3-amino-phenyl)-2-amino-3-(4-fluorobenzyl)-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(C=C1)C2(C(COC(C2(CC3=CC=C(C=C3)F)O)(C(=O)O)N)O)O)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C2(C(COC(C2(CC3=CC=C(C=C3)F)O)(C(=O)O)N)O)O)N

InChI

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