methyl (2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-(3-oxidanyl-4-phenylmethoxy-phenyl)propanoate

Systemtic Name: methyl (2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-(3-oxidanyl-4-phenylmethoxy-phenyl)propanoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(methyl)amino]-3-(4-benzyloxy-3-hydroxy-phenyl)propanoate CAS Name: (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate Traditional Name: (2S)-3-(4-benzoxy-3-hydroxy-phenyl)-2-[carbobenzoxy(methyl)amino]propionic acid methyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)O)C(=O)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO6/c1-27(26(30)33-18-20-11-7-4-8-12-20)22(25(29)31-2)15-21-13-14-24(23(28)16-21)32-17-19-9-5-3-6-10-19/h3-14,16,22,28H,15,17-18H2,1-2H3/t22-/m0/s1