(2S)-1-[3-(azepan-1-ylcarbonyl)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-(azepan-1-ylcarbonyl)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(azepane-1-carbonyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[3-[1-azepanyl(oxo)methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(azepane-1-carbonyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(azepane-1-carbonyl)benzoyl]proline Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C19H24N2O4/c22-17(20-10-3-1-2-4-11-20)14-7-5-8-15(13-14)18(23)21-12-6-9-16(21)19(24)25/h5,7-8,13,16H,1-4,6,9-12H2,(H,24,25)/t16-/m0/s1