5-[5-[4-(dimethylamino)-3,5-bis(fluoranyl)phenyl]-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-[4-(dimethylamino)-3,5-bis(fluoranyl)phenyl]-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-[4-(dimethylamino)-3,5-difluoro-phenyl]tetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[4-(dimethylamino)-3,5-difluorophenyl]-2-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-[4-(dimethylamino)-3,5-difluorophenyl]tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-[4-(dimethylamino)-3,5-difluoro-phenyl]tetrazol-2-yl]-4-keto-valeric acid Formula: C22H22F2N6O5 MolecularWeight: 488.444086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1F)C2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1F)C2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C22H22F2N6O5/c1-29(2)20-15(23)8-14(9-16(20)24)21-26-28-30(27-21)11-18(31)17(10-19(32)33)25-22(34)35-12-13-6-4-3-5-7-13/h3-9,17H,10-12H2,1-2H3,(H,25,34)(H,32,33)