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

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(5,5-dihexyl-2-oxidanylidene-oxolan-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2,6-diaminohexanoyl)-2-(5,5-dihexyl-2-oxo-tetrahydrofuran-3-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-(5,5-dihexyl-2-oxo-3-oxolanyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(5,5-dihexyl-2-oxooxolan-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2,6-diaminohexanoyl)-2-(5,5-dihexyl-2-keto-tetrahydrofuran-3-yl)proline Formula: C27H49N3O5 MolecularWeight: 495.69506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC(C(=O)O1)C2(CCCN2C(=O)C(CCCCN)N)C(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1(CC(C(=O)O1)C2(CCCN2C(=O)C(CCCCN)N)C(=O)O)CCCCCC

InChI

InChI=1S/C27H49N3O5/c1-3-5-7-10-15-26(16-11-8-6-4-2)20-21(24(32)35-26)27(25(33)34)17-13-19-30(27)23(31)22(29)14-9-12-18-28/h21-22H,3-20,28-29H2,1-2H3,(H,33,34)