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

Systemtic Name: (2S,3S)-3-(2-azanyl-5-cyclohexyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-(2-amino-5-cyclohexyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S,3S)-3-[(2-amino-5-cyclohexylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S,3S)-3-(2-amino-5-cyclohexylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S,3S)-3-[(2-amino-5-cyclohexyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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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)C3CCCCC3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)SC2=C(C=CC(=C2)C3CCCCC3)N

InChI

InChI=1S/C22H27NO4S/c1-27-17-10-7-15(8-11-17)21(20(24)22(25)26)28-19-13-16(9-12-18(19)23)14-5-3-2-4-6-14/h7-14,20-21,24H,2-6,23H2,1H3,(H,25,26)/t20-,21+/m1/s1