(2S)-3-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(2,6-dimethyl-4-phenylmethoxy-phenyl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoic acid Openeye Name: (2S)-3-(4-benzyloxy-2,6-dimethyl-phenyl)-2-(1,1-dimethylpropoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-[[2-methylbutan-2-yloxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(tert-amyloxycarbonylamino)-3-(4-benzoxy-2,6-dimethyl-phenyl)propionic acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1C)OCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-6-24(4,5)30-23(28)25-21(22(26)27)14-20-16(2)12-19(13-17(20)3)29-15-18-10-8-7-9-11-18/h7-13,21H,6,14-15H2,1-5H3,(H,25,28)(H,26,27)/t21-/m0/s1