3-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-4-phenyl-phenyl]-2-(methylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-4-phenyl-phenyl]-2-(methylsulfonylamino)propanoic acid Openeye Name: 3-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-4-phenyl-phenyl]-2-(methanesulfonamido)propanoic acid CAS Name: 3-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-4-phenylphenyl]-2-(methanesulfonamido)propanoic acid IUPAC Name: 3-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-4-phenylphenyl]-2-(methanesulfonamido)propanoic acid Traditional Name: 3-[2-(1H-imidazol-5-ylmethylamino)-3-methyl-4-phenyl-phenyl]-2-(methanesulfonamido)propionic acid Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NCC2=CN=CN2)CC(C(=O)O)NS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1NCC2=CN=CN2)CC(C(=O)O)NS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S/c1-14-18(15-6-4-3-5-7-15)9-8-16(10-19(21(26)27)25-30(2,28)29)20(14)23-12-17-11-22-13-24-17/h3-9,11,13,19,23,25H,10,12H2,1-2H3,(H,22,24)(H,26,27)