(2S)-3-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(4-benzyloxy-2,6-dimethyl-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(4-benzoxy-2,6-dimethyl-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO5/c1-15-11-18(28-14-17-9-7-6-8-10-17)12-16(2)19(15)13-20(21(25)26)24-22(27)29-23(3,4)5/h6-12,20H,13-14H2,1-5H3,(H,24,27)(H,25,26)/t20-/m0/s1