methyl (2S)-3-(3-oxidanyl-4-phenylmethoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-oxidanyl-4-phenylmethoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(4-benzyloxy-3-hydroxy-phenyl)propanoate CAS Name: (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(4-benzoxy-3-hydroxy-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO6/c1-30-24(28)21(26-25(29)32-17-19-10-6-3-7-11-19)14-20-12-13-23(22(27)15-20)31-16-18-8-4-2-5-9-18/h2-13,15,21,27H,14,16-17H2,1H3,(H,26,29)/t21-/m0/s1