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

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-6-piperidin-4-yl-hexan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-[1-carboxy-5-(4-piperidyl)pentyl]-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-[1-hydroxy-1-oxo-6-(4-piperidinyl)hexan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(1-hydroxy-1-oxo-6-piperidin-4-ylhexan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-[1-carboxy-5-(4-piperidyl)pentyl]-1-(2,6-diaminohexanoyl)proline Formula: C22H40N4O5 MolecularWeight: 440.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CCCCC2CCNCC2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CCCCC2CCNCC2)C(=O)O)C(=O)O

InChI

InChI=1S/C22H40N4O5/c23-12-4-3-8-18(24)19(27)26-15-5-11-22(26,21(30)31)17(20(28)29)7-2-1-6-16-9-13-25-14-10-16/h16-18,25H,1-15,23-24H2,(H,28,29)(H,30,31)