(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-4-phenylmethoxy-phenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-4-phenylmethoxy-phenyl)propanoate Openeye Name: benzyl (2S)-3-(4-benzyloxy-3-hydroxy-phenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-hydroxy-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(4-benzoxy-3-hydroxy-phenyl)-2-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO6/c1-28(2,3)35-27(32)29-23(26(31)34-19-21-12-8-5-9-13-21)16-22-14-15-25(24(30)17-22)33-18-20-10-6-4-7-11-20/h4-15,17,23,30H,16,18-19H2,1-3H3,(H,29,32)/t23-/m0/s1