(phenylmethyl) 6-[[4-azanyl-5-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-5-oxidanylidene-pentanoyl]amino]hexanoate

Systemtic Name: (phenylmethyl) 6-[[4-azanyl-5-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-5-oxidanylidene-pentanoyl]amino]hexanoate Openeye Name: benzyl 6-[[4-amino-5-(2-cyano-4-fluoro-pyrrolidin-1-yl)-5-oxo-pentanoyl]amino]hexanoate CAS Name: 6-[[4-amino-5-(2-cyano-4-fluoro-1-pyrrolidinyl)-1,5-dioxopentyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[4-amino-5-(2-cyano-4-fluoropyrrolidin-1-yl)-5-oxopentanoyl]amino]hexanoate Traditional Name: 6-[[4-amino-5-(2-cyano-4-fluoro-pyrrolidino)-5-keto-pentanoyl]amino]hexanoic acid benzyl ester Formula: C23H31FN4O4 MolecularWeight: 446.515043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C#N)C(=O)C(CCC(=O)NCCCCCC(=O)OCC2=CC=CC=C2)N)F

Isomeric SMILES

C1C(CN(C1C#N)C(=O)C(CCC(=O)NCCCCCC(=O)OCC2=CC=CC=C2)N)F

InChI

InChI=1S/C23H31FN4O4/c24-18-13-19(14-25)28(15-18)23(31)20(26)10-11-21(29)27-12-6-2-5-9-22(30)32-16-17-7-3-1-4-8-17/h1,3-4,7-8,18-20H,2,5-6,9-13,15-16,26H2,(H,27,29)