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

Systemtic Name: methyl (2S)-3-[3-(2-hydroxyphenyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]propanoate CAS Name: (2S)-3-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]propionic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)C2=CC=CC=C2O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)C2=CC=CC=C2O)C(=O)OC

InChI

InChI=1S/C21H25NO6/c1-21(2,3)28-20(26)22-16(19(25)27-4)12-13-9-10-18(24)15(11-13)14-7-5-6-8-17(14)23/h5-11,16,23-24H,12H2,1-4H3,(H,22,26)/t16-/m0/s1