(2S)-11-[(2-methylpropan-2-yl)oxy]-11-oxidanylidene-2-(phenylmethoxycarbonylamino)undecanoic acid

Systemtic Name: (2S)-11-[(2-methylpropan-2-yl)oxy]-11-oxidanylidene-2-(phenylmethoxycarbonylamino)undecanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-11-tert-butoxy-11-oxo-undecanoic acid CAS Name: (2S)-11-[(2-methylpropan-2-yl)oxy]-11-oxo-2-(phenylmethoxycarbonylamino)undecanoic acid IUPAC Name: (2S)-11-[(2-methylpropan-2-yl)oxy]-11-oxo-2-(phenylmethoxycarbonylamino)undecanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-11-tert-butoxy-11-keto-undecanoic acid Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO6/c1-23(2,3)30-20(25)16-12-7-5-4-6-11-15-19(21(26)27)24-22(28)29-17-18-13-9-8-10-14-18/h8-10,13-14,19H,4-7,11-12,15-17H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1