(2S)-1-[5-(azepan-1-yl)-3,3-dimethyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[5-(azepan-1-yl)-3,3-dimethyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[5-(azepan-1-yl)-3,3-dimethyl-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[5-(1-azepanyl)-3,3-dimethyl-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[5-(azepan-1-yl)-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[5-(azepan-1-yl)-5-keto-3,3-dimethyl-pentanoyl]proline Formula: C18H30N2O4 MolecularWeight: 338.4418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCCCCC1)CC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCCCCC1)CC(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C18H30N2O4/c1-18(2,12-15(21)19-9-5-3-4-6-10-19)13-16(22)20-11-7-8-14(20)17(23)24/h14H,3-13H2,1-2H3,(H,23,24)/t14-/m0/s1