4-(octadecanoylamino)-2-oxidanyl-hexane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(octadecanoylamino)-2-oxidanyl-hexane-1,2,3-tricarboxylic acid Openeye Name: 2-hydroxy-4-(octadecanoylamino)hexane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-4-(1-oxooctadecylamino)hexane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxy-4-(octadecanoylamino)hexane-1,2,3-tricarboxylic acid Traditional Name: 2-hydroxy-4-stearamido-hexane-1,2,3-tricarboxylic acid Formula: C27H49NO8 MolecularWeight: 515.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C27H49NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(29)28-21(4-2)24(25(32)33)27(36,26(34)35)20-23(30)31/h21,24,36H,3-20H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)