1-[2,6-bis(azanyl)hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-7-piperidin-4-yl-heptan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-7-piperidin-4-yl-heptan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-[1-carboxy-6-(4-piperidyl)hexyl]-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-[1-hydroxy-1-oxo-7-(4-piperidinyl)heptan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(1-hydroxy-1-oxo-7-piperidin-4-ylheptan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-[1-carboxy-6-(4-piperidyl)hexyl]-1-(2,6-diaminohexanoyl)proline Formula: C23H42N4O5 MolecularWeight: 454.60338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CCCCCC2CCNCC2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CCCCCC2CCNCC2)C(=O)O)C(=O)O

InChI

InChI=1S/C23H42N4O5/c24-13-5-4-9-19(25)20(28)27-16-6-12-23(27,22(31)32)18(21(29)30)8-3-1-2-7-17-10-14-26-15-11-17/h17-19,26H,1-16,24-25H2,(H,29,30)(H,31,32)