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

Systemtic Name: methyl (2S,3S)-3-[2-azanyl-5-(3-methylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-[2-amino-5-(3-methylphenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[[2-amino-5-(3-methylphenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-[2-amino-5-(3-methylphenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[[2-amino-5-(3-methylphenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=C(C=C2)N)SC(C3=CC=C(C=C3)OC)C(C(=O)OC)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=C(C=C2)N)S[C@@H](C3=CC=C(C=C3)OC)[C@H](C(=O)OC)O

InChI

InChI=1S/C24H25NO5S/c1-15-5-4-6-18(13-15)30-19-11-12-20(25)21(14-19)31-23(22(26)24(27)29-3)16-7-9-17(28-2)10-8-16/h4-14,22-23,26H,25H2,1-3H3/t22-,23+/m1/s1