methyl (2S,3S)-3-(2-azanyl-5-methylsulfanyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2S,3S)-3-(2-azanyl-5-methylsulfanyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-(2-amino-5-methylsulfanyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[[2-amino-5-(methylthio)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(2-amino-5-methylsulfanylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[[2-amino-5-(methylthio)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S2/c1-22-12-6-4-11(5-7-12)17(16(20)18(21)23-2)25-15-10-13(24-3)8-9-14(15)19/h4-10,16-17,20H,19H2,1-3H3/t16-,17+/m1/s1