[3,5-dimethyl-2-(2-methyl-4-oxidanylidene-butan-2-yl)phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [3,5-dimethyl-2-(2-methyl-4-oxidanylidene-butan-2-yl)phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(1,1-dimethyl-3-oxo-propyl)-3,5-dimethyl-phenyl] (2S)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] ester IUPAC Name: [3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)propionic acid [2-(3-keto-1,1-dimethyl-propyl)-3,5-dimethyl-phenyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)C(C)NC(=O)OC(C)(C)C)C(C)(C)CC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-13-11-14(2)17(21(7,8)9-10-23)16(12-13)26-18(24)15(3)22-19(25)27-20(4,5)6/h10-12,15H,9H2,1-8H3,(H,22,25)/t15-/m0/s1