(2S)-1-[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-(azepan-1-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[4-(1-azepanyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-(azepan-1-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-(azepan-1-yl)-4-keto-butanoyl]proline Formula: C15H24N2O4 MolecularWeight: 296.36206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C15H24N2O4/c18-13(16-9-3-1-2-4-10-16)7-8-14(19)17-11-5-6-12(17)15(20)21/h12H,1-11H2,(H,20,21)/t12-/m0/s1