3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-tetradecanoyl-amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-tetradecanoyl-amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[p-tolylsulfonyl(tetradecanoyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-(1-oxotetradecyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)sulfonyl-tetradecanoylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[tetradecanoyl(tosyl)amino]propionic acid Formula: C27H41N3O5S MolecularWeight: 519.69654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N(C(CC1=CN=CN1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N(C(CC1=CN=CN1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

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