(2S)-2-[(4-methoxy-5-methylsulfanyl-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(4-methoxy-5-methylsulfanyl-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2-hydroxy-4-methoxy-5-methylsulfanyl-phenyl)methylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-hydroxy-4-methoxy-5-(methylthio)phenyl]methylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2-hydroxy-4-methoxy-5-methylsulfanylphenyl)methylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-hydroxy-4-methoxy-5-(methylthio)benzyl]amino]-3-phenyl-propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)CNC(CC2=CC=CC=C2)C(=O)O)SC

Isomeric SMILES

COC1=C(C=C(C(=C1)O)CN[C@@H](CC2=CC=CC=C2)C(=O)O)SC

InChI

InChI=1S/C18H21NO4S/c1-23-16-10-15(20)13(9-17(16)24-2)11-19-14(18(21)22)8-12-6-4-3-5-7-12/h3-7,9-10,14,19-20H,8,11H2,1-2H3,(H,21,22)/t14-/m0/s1