(2S)-3-(4-acetyloxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Systemtic Name: (2S)-3-(4-acetyloxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Openeye Name: (2S)-3-(4-acetoxyphenyl)-2-[tert-butoxycarbonyl(methyl)amino]propanoate CAS Name: (2S)-3-(4-acetyloxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-(4-acetyloxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Traditional Name: (2S)-3-(4-acetoxyphenyl)-2-[tert-butoxycarbonyl(methyl)amino]propionate Formula: C17H22NO6- MolecularWeight: 336.35968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)[O-])N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23NO6/c1-11(19)23-13-8-6-12(7-9-13)10-14(15(20)21)18(5)16(22)24-17(2,3)4/h6-9,14H,10H2,1-5H3,(H,20,21)/p-1/t14-/m0/s1