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

Systemtic Name: methyl (2S)-3-[3-(2-acetyloxyphenyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[3-(2-acetoxyphenyl)-4-hydroxy-phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[3-(2-acetyloxyphenyl)-4-hydroxyphenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(2-acetyloxyphenyl)-4-hydroxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[3-(2-acetoxyphenyl)-4-hydroxy-phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C2=C(C=CC(=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C2=C(C=CC(=C2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C23H27NO7/c1-14(25)30-20-9-7-6-8-16(20)17-12-15(10-11-19(17)26)13-18(21(27)29-5)24-22(28)31-23(2,3)4/h6-12,18,26H,13H2,1-5H3,(H,24,28)/t18-/m0/s1