3-[[3,5-dimethyl-2-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[3,5-dimethyl-2-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3,5-dimethyl-benzoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[3,5-dimethyl-2-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[3,5-dimethyl-2-(phenylmethoxycarbonylamino)benzoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3,5-dimethyl-benzoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C22H23FN2O6 MolecularWeight: 430.426223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H23FN2O6/c1-13-8-14(2)20(25-22(30)31-12-15-6-4-3-5-7-15)16(9-13)21(29)24-17(10-19(27)28)18(26)11-23/h3-9,17H,10-12H2,1-2H3,(H,24,29)(H,25,30)(H,27,28)