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

Systemtic Name: 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1H-imidazol-5-ylmethylamino)benzyl]-mesyl-amino]-3-phenyl-propionic acid Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1NCC2=CN=CN2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1NCC2=CN=CN2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N4O4S/c1-30(28,29)25(20(21(26)27)11-16-7-3-2-4-8-16)14-17-9-5-6-10-19(17)23-13-18-12-22-15-24-18/h2-10,12,15,20,23H,11,13-14H2,1H3,(H,22,24)(H,26,27)