1-[2,6-bis(azanyl)hexanoyl]-2-(5-hexyl-2-oxidanylidene-oxolan-3-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(5-hexyl-2-oxidanylidene-oxolan-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2,6-diaminohexanoyl)-2-(5-hexyl-2-oxo-tetrahydrofuran-3-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-(5-hexyl-2-oxo-3-oxolanyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(5-hexyl-2-oxooxolan-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2,6-diaminohexanoyl)-2-(5-hexyl-2-keto-tetrahydrofuran-3-yl)proline Formula: C21H37N3O5 MolecularWeight: 411.53558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(=O)O1)C2(CCCN2C(=O)C(CCCCN)N)C(=O)O

Isomeric SMILES

CCCCCCC1CC(C(=O)O1)C2(CCCN2C(=O)C(CCCCN)N)C(=O)O

InChI

InChI=1S/C21H37N3O5/c1-2-3-4-5-9-15-14-16(19(26)29-15)21(20(27)28)11-8-13-24(21)18(25)17(23)10-6-7-12-22/h15-17H,2-14,22-23H2,1H3,(H,27,28)