1-(2-azanylpropanoyl)-2-(1-oxidanyl-1-oxidanylidene-7-piperidin-4-yl-heptan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-2-(1-oxidanyl-1-oxidanylidene-7-piperidin-4-yl-heptan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-2-[1-carboxy-6-(4-piperidyl)hexyl]pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-2-[1-hydroxy-1-oxo-7-(4-piperidinyl)heptan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-2-(1-hydroxy-1-oxo-7-piperidin-4-ylheptan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-alanyl-2-[1-carboxy-6-(4-piperidyl)hexyl]proline Formula: C20H35N3O5 MolecularWeight: 397.509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1(C(CCCCCC2CCNCC2)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)N1CCCC1(C(CCCCCC2CCNCC2)C(=O)O)C(=O)O)N

InChI

InChI=1S/C20H35N3O5/c1-14(21)17(24)23-13-5-10-20(23,19(27)28)16(18(25)26)7-4-2-3-6-15-8-11-22-12-9-15/h14-16,22H,2-13,21H2,1H3,(H,25,26)(H,27,28)