(2S,3S)-3-(2-azanyl-5-methylsulfanyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: (2S,3S)-3-(2-azanyl-5-methylsulfanyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-(2-amino-5-methylsulfanyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S,3S)-3-[[2-amino-5-(methylthio)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S,3S)-3-(2-amino-5-methylsulfanylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S,3S)-3-[[2-amino-5-(methylthio)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)SC)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)SC2=C(C=CC(=C2)SC)N

InChI

InChI=1S/C17H19NO4S2/c1-22-11-5-3-10(4-6-11)16(15(19)17(20)21)24-14-9-12(23-2)7-8-13(14)18/h3-9,15-16,19H,18H2,1-2H3,(H,20,21)/t15-,16+/m1/s1