2-(9-azanyl-1-ethoxy-1-oxidanylidene-nonan-2-yl)-1-[2,6-bis(azanyl)hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(9-azanyl-1-ethoxy-1-oxidanylidene-nonan-2-yl)-1-[2,6-bis(azanyl)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(8-amino-1-ethoxycarbonyl-octyl)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-(9-amino-1-ethoxy-1-oxononan-2-yl)-1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(9-amino-1-ethoxy-1-oxononan-2-yl)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-(8-amino-1-carbethoxy-octyl)-1-(2,6-diaminohexanoyl)proline Formula: C22H42N4O5 MolecularWeight: 442.59268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCN)C1(CCCN1C(=O)C(CCCCN)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCCCCN)C1(CCCN1C(=O)C(CCCCN)N)C(=O)O

InChI

InChI=1S/C22H42N4O5/c1-2-31-20(28)17(11-6-4-3-5-8-14-23)22(21(29)30)13-10-16-26(22)19(27)18(25)12-7-9-15-24/h17-18H,2-16,23-25H2,1H3,(H,29,30)