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

Systemtic Name: 5-fluoranyl-3-[[5-methyl-2-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-5-methyl-benzoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[5-methyl-2-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[5-methyl-2-(phenylmethoxycarbonylamino)benzoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-5-methyl-benzoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O6/c1-13-7-8-16(24-21(29)30-12-14-5-3-2-4-6-14)15(9-13)20(28)23-17(10-19(26)27)18(25)11-22/h2-9,17H,10-12H2,1H3,(H,23,28)(H,24,29)(H,26,27)