(2S)-8-[(2-methylpropan-2-yl)oxy]-8-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: (2S)-8-[(2-methylpropan-2-yl)oxy]-8-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-8-tert-butoxy-8-oxo-octanoate CAS Name: (2S)-8-[(2-methylpropan-2-yl)oxy]-8-oxo-2-(phenylmethoxycarbonylamino)octanoate IUPAC Name: (2S)-8-[(2-methylpropan-2-yl)oxy]-8-oxo-2-(phenylmethoxycarbonylamino)octanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-8-tert-butoxy-8-keto-caprylate Formula: C20H28NO6- MolecularWeight: 378.43942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCCCC[C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H29NO6/c1-20(2,3)27-17(22)13-9-5-8-12-16(18(23)24)21-19(25)26-14-15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3,(H,21,25)(H,23,24)/p-1/t16-/m0/s1