3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(tetradecanoylamino)propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(tetradecanoylamino)propanoic acid Openeye Name: 3-[1-(p-tolylsulfonyl)imidazol-4-yl]-2-(tetradecanoylamino)propanoic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-2-(1-oxotetradecylamino)propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-(tetradecanoylamino)propanoic acid Traditional Name: 2-(tetradecanoylamino)-3-(1-tosylimidazol-4-yl)propionic acid Formula: C27H41N3O5S MolecularWeight: 519.69654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C27H41N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-26(31)29-25(27(32)33)19-23-20-30(21-28-23)36(34,35)24-17-15-22(2)16-18-24/h15-18,20-21,25H,3-14,19H2,1-2H3,(H,29,31)(H,32,33)