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

Systemtic Name: 2-azanyl-6-[[2-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[2-(hexadecanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]heptanedioic acid CAS Name: 2-amino-6-[[5-hydroxy-1,5-dioxo-2-(1-oxohexadecylamino)pentyl]amino]heptanedioic acid IUPAC Name: 2-amino-6-[[2-(hexadecanoylamino)-5-hydroxy-5-oxopentanoyl]amino]heptanedioic acid Traditional Name: 2-amino-6-[(5-hydroxy-5-keto-2-palmitamido-pentanoyl)amino]pimelic acid Formula: C28H51N3O8 MolecularWeight: 557.71984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H51N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(32)30-22(19-20-25(33)34)26(35)31-23(28(38)39)17-15-16-21(29)27(36)37/h21-23H,2-20,29H2,1H3,(H,30,32)(H,31,35)(H,33,34)(H,36,37)(H,38,39)