3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[3-(p-tolylsulfonylamino)propanoylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[3-(tosylamino)propanoylamino]propionic acid Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C16H20N4O5S/c1-11-2-4-13(5-3-11)26(24,25)19-7-6-15(21)20-14(16(22)23)8-12-9-17-10-18-12/h2-5,9-10,14,19H,6-8H2,1H3,(H,17,18)(H,20,21)(H,22,23)