(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) (2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-methyl-valeric acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC(=O)CC(C1)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=CC(=O)CC(C1)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO5/c1-15(2)10-19(23-21(26)27-14-16-8-6-5-7-9-16)20(25)28-18-11-17(24)12-22(3,4)13-18/h5-9,11,15,19H,10,12-14H2,1-4H3,(H,23,26)/t19-/m0/s1