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

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(5-heptyl-2-oxidanylidene-oxolan-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2,6-diaminohexanoyl)-2-(5-heptyl-2-oxo-tetrahydrofuran-3-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-(5-heptyl-2-oxo-3-oxolanyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(5-heptyl-2-oxooxolan-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2,6-diaminohexanoyl)-2-(5-heptyl-2-keto-tetrahydrofuran-3-yl)proline Formula: C22H39N3O5 MolecularWeight: 425.56216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(C(=O)O1)C2(CCCN2C(=O)C(CCCCN)N)C(=O)O

Isomeric SMILES

CCCCCCCC1CC(C(=O)O1)C2(CCCN2C(=O)C(CCCCN)N)C(=O)O

InChI

InChI=1S/C22H39N3O5/c1-2-3-4-5-6-10-16-15-17(20(27)30-16)22(21(28)29)12-9-14-25(22)19(26)18(24)11-7-8-13-23/h16-18H,2-15,23-24H2,1H3,(H,28,29)