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

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(5-cyclohexyl-2-oxidanylidene-oxolan-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(5-cyclohexyl-2-oxo-tetrahydrofuran-3-yl)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-(5-cyclohexyl-2-oxo-3-oxolanyl)-1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(5-cyclohexyl-2-oxooxolan-3-yl)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-(5-cyclohexyl-2-keto-tetrahydrofuran-3-yl)-1-(2,6-diaminohexanoyl)proline Formula: C21H35N3O5 MolecularWeight: 409.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(C(=O)O2)C3(CCCN3C(=O)C(CCCCN)N)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2CC(C(=O)O2)C3(CCCN3C(=O)C(CCCCN)N)C(=O)O

InChI

InChI=1S/C21H35N3O5/c22-11-5-4-9-16(23)18(25)24-12-6-10-21(24,20(27)28)15-13-17(29-19(15)26)14-7-2-1-3-8-14/h14-17H,1-13,22-23H2,(H,27,28)