4-(2-carboxyethyl)-4-(octadecanoylamino)heptanedioic acid

Systemtic Name: 4-(2-carboxyethyl)-4-(octadecanoylamino)heptanedioic acid Openeye Name: 4-(2-carboxyethyl)-4-(octadecanoylamino)heptanedioic acid CAS Name: 4-(2-carboxyethyl)-4-(1-oxooctadecylamino)heptanedioic acid IUPAC Name: 4-(2-carboxyethyl)-4-(octadecanoylamino)heptanedioic acid Traditional Name: 4-(2-carboxyethyl)-4-stearamido-pimelic acid Formula: C28H51NO7 MolecularWeight: 513.70704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C28H51NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)29-28(21-18-25(31)32,22-19-26(33)34)23-20-27(35)36/h2-23H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)