2-azanyl-6-[[5-oxidanyl-5-oxidanylidene-2-(tetradecanoylamino)pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-azanyl-6-[[5-oxidanyl-5-oxidanylidene-2-(tetradecanoylamino)pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoyl]amino]heptanedioic acid CAS Name: 2-amino-6-[[5-hydroxy-1,5-dioxo-2-(1-oxotetradecylamino)pentyl]amino]heptanedioic acid IUPAC Name: 2-amino-6-[[5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoyl]amino]heptanedioic acid Traditional Name: 2-amino-6-[[5-hydroxy-5-keto-2-(tetradecanoylamino)pentanoyl]amino]pimelic acid Formula: C26H47N3O8 MolecularWeight: 529.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCC(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C26H47N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(30)28-20(17-18-23(31)32)24(33)29-21(26(36)37)15-13-14-19(27)25(34)35/h19-21H,2-18,27H2,1H3,(H,28,30)(H,29,33)(H,31,32)(H,34,35)(H,36,37)