(2S)-9-[(2-methylpropan-2-yl)oxy]-9-oxidanylidene-2-(phenylmethoxycarbonylamino)nonanoic acid

Systemtic Name: (2S)-9-[(2-methylpropan-2-yl)oxy]-9-oxidanylidene-2-(phenylmethoxycarbonylamino)nonanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-9-tert-butoxy-9-oxo-nonanoic acid CAS Name: (2S)-9-[(2-methylpropan-2-yl)oxy]-9-oxo-2-(phenylmethoxycarbonylamino)nonanoic acid IUPAC Name: (2S)-9-[(2-methylpropan-2-yl)oxy]-9-oxo-2-(phenylmethoxycarbonylamino)nonanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-9-tert-butoxy-9-keto-pelargonic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO6/c1-21(2,3)28-18(23)14-10-5-4-9-13-17(19(24)25)22-20(26)27-15-16-11-7-6-8-12-16/h6-8,11-12,17H,4-5,9-10,13-15H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1