ethyl (2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: ethyl (2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: ethyl (2S,3R)-2-(benzyloxycarbonylamino)-3-(4-benzyloxyphenyl)-3-hydroxy-propanoate CAS Name: (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S,3R)-3-(4-benzoxyphenyl)-2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid ethyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)OCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO6/c1-2-31-25(29)23(27-26(30)33-18-20-11-7-4-8-12-20)24(28)21-13-15-22(16-14-21)32-17-19-9-5-3-6-10-19/h3-16,23-24,28H,2,17-18H2,1H3,(H,27,30)/t23-,24+/m0/s1