3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[3-cyano-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C17H18FN3O6 MolecularWeight: 379.339723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC#N)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC#N)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C17H18FN3O6/c18-9-14(22)13(8-15(23)24)20-16(25)12(6-7-19)21-17(26)27-10-11-4-2-1-3-5-11/h1-5,12-13H,6,8-10H2,(H,20,25)(H,21,26)(H,23,24)