(2S)-1-[3-azanyl-4-(2-fluorophenyl)butanoyl]-N-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[3-azanyl-4-(2-fluorophenyl)butanoyl]-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[3-amino-4-(2-fluorophenyl)butanoyl]-N-benzyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[3-amino-4-(2-fluorophenyl)-1-oxobutyl]-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[3-amino-4-(2-fluorophenyl)butanoyl]-N-benzyl-pyrrolidine-2-carboxamide Formula: C22H26FN3O2 MolecularWeight: 383.459143

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2/c23-19-10-5-4-9-17(19)13-18(24)14-21(27)26-12-6-11-20(26)22(28)25-15-16-7-2-1-3-8-16/h1-5,7-10,18,20H,6,11-15,24H2,(H,25,28)/t18?,20-/m0/s1