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

Systemtic Name: 3-[[4-chloranyl-2-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-4-chloro-benzoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[4-chloro-2-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[4-chloro-2-(phenylmethoxycarbonylamino)benzoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-4-chloro-benzoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C20H18ClFN2O6 MolecularWeight: 436.818123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(C=CC(=C2)Cl)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(C=CC(=C2)Cl)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H18ClFN2O6/c21-13-6-7-14(19(28)23-16(9-18(26)27)17(25)10-22)15(8-13)24-20(29)30-11-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H,23,28)(H,24,29)(H,26,27)