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

Systemtic Name: (2S,3R)-3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3R)-3-(2-amino-5-methyl-phenyl)sulfanyl-2-hydroxy-3-(p-tolyl)propanoic acid CAS Name: (2S,3R)-3-[(2-amino-5-methylphenyl)thio]-2-hydroxy-3-(4-methylphenyl)propanoic acid IUPAC Name: (2S,3R)-3-(2-amino-5-methylphenyl)sulfanyl-2-hydroxy-3-(4-methylphenyl)propanoic acid Traditional Name: (2S,3R)-3-[(2-amino-5-methyl-phenyl)thio]-2-hydroxy-3-(p-tolyl)propionic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-10-3-6-12(7-4-10)16(15(19)17(20)21)22-14-9-11(2)5-8-13(14)18/h3-9,15-16,19H,18H2,1-2H3,(H,20,21)/t15-,16-/m1/s1