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

Systemtic Name: methyl (2S,3S)-3-[2-azanyl-5-(phenylmethyl)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-(2-amino-5-benzyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[[2-amino-5-(phenylmethyl)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(2-amino-5-benzylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-benzyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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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)CC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)OC)O)SC2=C(C=CC(=C2)CC3=CC=CC=C3)N

InChI

InChI=1S/C24H25NO4S/c1-28-19-11-9-18(10-12-19)23(22(26)24(27)29-2)30-21-15-17(8-13-20(21)25)14-16-6-4-3-5-7-16/h3-13,15,22-23,26H,14,25H2,1-2H3/t22-,23+/m1/s1