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

Systemtic Name: 2-(9-azanyl-1-oxidanyl-1-oxidanylidene-nonan-2-yl)-1-[2,6-bis(azanyl)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(8-amino-1-carboxy-octyl)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-(9-amino-1-hydroxy-1-oxononan-2-yl)-1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(9-amino-1-hydroxy-1-oxononan-2-yl)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-(8-amino-1-carboxy-octyl)-1-(2,6-diaminohexanoyl)proline Formula: C20H38N4O5 MolecularWeight: 414.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CCCCCCCN)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)(C(CCCCCCCN)C(=O)O)C(=O)O

InChI

InChI=1S/C20H38N4O5/c21-12-6-3-1-2-4-9-15(18(26)27)20(19(28)29)11-8-14-24(20)17(25)16(23)10-5-7-13-22/h15-16H,1-14,21-23H2,(H,26,27)(H,28,29)