3-(4-hydroxyphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(p-tolylsulfonylamino)propanoyl]amino]propanoic acid CAS Name: 2-[[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(tosylamino)propanoyl]amino]propionic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C19H22N2O7S/c1-12-2-8-15(9-3-12)29(27,28)21-17(11-22)18(24)20-16(19(25)26)10-13-4-6-14(23)7-5-13/h2-9,16-17,21-23H,10-11H2,1H3,(H,20,24)(H,25,26)