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

Systemtic Name: 5-fluoranyl-3-[[3-methoxy-2-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-methoxy-benzoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[3-methoxy-2-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[3-methoxy-2-(phenylmethoxycarbonylamino)benzoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-methoxy-benzoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H21FN2O7 MolecularWeight: 432.399043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1NC(=O)OCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

COC1=CC=CC(=C1NC(=O)OCC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C21H21FN2O7/c1-30-17-9-5-8-14(20(28)23-15(10-18(26)27)16(25)11-22)19(17)24-21(29)31-12-13-6-3-2-4-7-13/h2-9,15H,10-12H2,1H3,(H,23,28)(H,24,29)(H,26,27)