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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N)SC(C2=CC=C(C=C2)C)C(C(=O)O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)N)S[C@H](C2=CC=C(C=C2)C)[C@@H](C(=O)O)O

InChI

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