N-[(5S)-6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]propan-2-imine oxide

Systemtic Name: N-[(5S)-6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]propan-2-imine oxide Openeye Name: N-[(5S)-5-(benzyloxycarbonylamino)-6-tert-butoxy-6-oxo-hexyl]propan-2-imine oxide CAS Name: N-[(5S)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]-2-propanimine oxide IUPAC Name: N-[(5S)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]propan-2-imine oxide Traditional Name: N-[(5S)-5-(benzyloxycarbonylamino)-6-tert-butoxy-6-keto-hexyl]propan-2-imine oxide Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+](CCCCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)[O-])C

Isomeric SMILES

CC(=[N+](CCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)[O-])C

InChI

InChI=1S/C21H32N2O5/c1-16(2)23(26)14-10-9-13-18(19(24)28-21(3,4)5)22-20(25)27-15-17-11-7-6-8-12-17/h6-8,11-12,18H,9-10,13-15H2,1-5H3,(H,22,25)/t18-/m0/s1