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

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-4-phenylmethoxy-phenyl)propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-22(2,3)29-21(26)23-17(20(25)27-4)12-16-10-11-19(18(24)13-16)28-14-15-8-6-5-7-9-15/h5-11,13,17,24H,12,14H2,1-4H3,(H,23,26)/t17-/m0/s1