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

Systemtic Name: 5-fluoranyl-3-[[3-methyl-2-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-methyl-benzoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[3-methyl-2-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[3-methyl-2-(phenylmethoxycarbonylamino)benzoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-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=CC(=C1NC(=O)OCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)OCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)CF

InChI

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