(2R,3R)-3-(2-azanyl-4,5-dimethyl-phenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: (2R,3R)-3-(2-azanyl-4,5-dimethyl-phenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2R,3R)-3-(2-amino-4,5-dimethyl-phenyl)sulfanyl-2-hydroxy-3-(p-tolyl)propanoic acid CAS Name: (2R,3R)-3-[(2-amino-4,5-dimethylphenyl)thio]-2-hydroxy-3-(4-methylphenyl)propanoic acid IUPAC Name: (2R,3R)-3-(2-amino-4,5-dimethylphenyl)sulfanyl-2-hydroxy-3-(4-methylphenyl)propanoic acid Traditional Name: (2R,3R)-3-[(2-amino-4,5-dimethyl-phenyl)thio]-2-hydroxy-3-(p-tolyl)propionic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=C(C(=C2)C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@@H](C(=O)O)O)SC2=C(C=C(C(=C2)C)C)N

InChI

InChI=1S/C18H21NO3S/c1-10-4-6-13(7-5-10)17(16(20)18(21)22)23-15-9-12(3)11(2)8-14(15)19/h4-9,16-17,20H,19H2,1-3H3,(H,21,22)/t16-,17+/m0/s1