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

Systemtic Name: (2S,3S)-3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-(2-amino-5-phenoxy-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S,3S)-3-[(2-amino-5-phenoxyphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S,3S)-3-(2-amino-5-phenoxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S,3S)-3-[(2-amino-5-phenoxy-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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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)OC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=CC=C3)N

InChI

InChI=1S/C22H21NO5S/c1-27-15-9-7-14(8-10-15)21(20(24)22(25)26)29-19-13-17(11-12-18(19)23)28-16-5-3-2-4-6-16/h2-13,20-21,24H,23H2,1H3,(H,25,26)/t20-,21+/m1/s1