(2S)-3-(2-ethyl-6-methyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(2-ethyl-6-methyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-ethyl-6-methyl-phenyl)propanoic acid CAS Name: (2S)-3-(2-ethyl-6-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(2-ethyl-6-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-ethyl-6-methyl-phenyl)propionic acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1CC(C(=O)O)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H25NO4/c1-6-12-9-7-8-11(2)13(12)10-14(15(19)20)18-16(21)22-17(3,4)5/h7-9,14H,6,10H2,1-5H3,(H,18,21)(H,19,20)/t14-/m0/s1