methyl (2R,3R)-3-[2-azanyl-4-(phenylmethoxycarbonylamino)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2R,3R)-3-[2-azanyl-4-(phenylmethoxycarbonylamino)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R,3R)-3-[2-amino-4-(benzyloxycarbonylamino)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-3-[[2-amino-4-(phenylmethoxycarbonylamino)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-[2-amino-4-(phenylmethoxycarbonylamino)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-3-[[2-amino-4-(benzyloxycarbonylamino)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@@H](C(=O)OC)O)SC2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H26N2O6S/c1-31-19-11-8-17(9-12-19)23(22(28)24(29)32-2)34-21-13-10-18(14-20(21)26)27-25(30)33-15-16-6-4-3-5-7-16/h3-14,22-23,28H,15,26H2,1-2H3,(H,27,30)/t22-,23+/m0/s1