(2S)-1-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-N-[[3-(1H-imidazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-N-[[3-(1H-imidazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-[[3-(1H-imidazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)-1-oxobutyl]-N-[[3-(1H-imidazol-5-yl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-[[3-(1H-imidazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-[3-(1H-imidazol-5-yl)benzyl]pyrrolidine-2-carboxamide Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2F)N)C(=O)NCC3=CC=CC(=C3)C4=CN=CN4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2F)N)C(=O)NCC3=CC=CC(=C3)C4=CN=CN4

InChI

InChI=1S/C25H28FN5O2/c26-21-8-2-1-6-18(21)12-20(27)13-24(32)31-10-4-9-23(31)25(33)29-14-17-5-3-7-19(11-17)22-15-28-16-30-22/h1-3,5-8,11,15-16,20,23H,4,9-10,12-14,27H2,(H,28,30)(H,29,33)/t20-,23+/m1/s1