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

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

Isomeric SMILES

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