2-(octadecanoylamino)-4-sulfo-butanoic acid

Systemtic Name: 2-(octadecanoylamino)-4-sulfo-butanoic acid Openeye Name: 2-(octadecanoylamino)-4-sulfo-butanoic acid CAS Name: 2-(1-oxooctadecylamino)-4-sulfobutanoic acid IUPAC Name: 2-(octadecanoylamino)-4-sulfobutanoic acid Traditional Name: 2-stearamido-4-sulfo-butyric acid Formula: C22H43NO6S MolecularWeight: 449.64492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C22H43NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19-30(27,28)29/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29)