1-[2,3,4,5,6-pentakis(oxidanyl)hexanoyl]-1-azacyclotetracosane-2-carboxylic acid

Systemtic Name: 1-[2,3,4,5,6-pentakis(oxidanyl)hexanoyl]-1-azacyclotetracosane-2-carboxylic acid Openeye Name: 1-(2,3,4,5,6-pentahydroxyhexanoyl)-azacyclotetracosane-2-carboxylic acid CAS Name: 1-(2,3,4,5,6-pentahydroxy-1-oxohexyl)-azacyclotetracosane-2-carboxylic acid IUPAC Name: 1-(2,3,4,5,6-pentahydroxyhexanoyl)-azacyclotetracosane-2-carboxylic acid Traditional Name: 1-(2,3,4,5,6-pentahydroxyhexanoyl)-azacyclotetracosane-2-carboxylic acid Formula: C30H57NO8 MolecularWeight: 559.77548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCCCCCCN(C(CCCCCCCCCC1)C(=O)O)C(=O)C(C(C(C(CO)O)O)O)O

Isomeric SMILES

C1CCCCCCCCCCCN(C(CCCCCCCCCC1)C(=O)O)C(=O)C(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C30H57NO8/c32-23-25(33)26(34)27(35)28(36)29(37)31-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24(31)30(38)39/h24-28,32-36H,1-23H2,(H,38,39)