2-(octadecanoylamino)-3-sulfo-propanoic acid

Systemtic Name: 2-(octadecanoylamino)-3-sulfo-propanoic acid Openeye Name: 2-(octadecanoylamino)-3-sulfo-propanoic acid CAS Name: 2-(1-oxooctadecylamino)-3-sulfopropanoic acid IUPAC Name: 2-(octadecanoylamino)-3-sulfopropanoic acid Traditional Name: 2-stearamido-3-sulfo-propionic acid Formula: C21H41NO6S MolecularWeight: 435.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H41NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19(21(24)25)18-29(26,27)28/h19H,2-18H2,1H3,(H,22,23)(H,24,25)(H,26,27,28)