[3,6-dimethyl-2-(2-methyl-4-oxidanylidene-butan-2-yl)phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [3,6-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)-3,6-dimethyl-phenyl] (2S)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [3,6-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] ester IUPAC Name: [3,6-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)-3,6-dimethyl-phenyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-13-9-10-14(2)17(16(13)21(7,8)11-12-23)26-18(24)15(3)22-19(25)27-20(4,5)6/h9-10,12,15H,11H2,1-8H3,(H,22,25)/t15-/m0/s1