(3S)-3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (3S)-3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-3-(o-tolyl)propanoic acid CAS Name: (3S)-3-(2-methylphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (3S)-3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-3-(o-tolyl)propionic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1