[(5S)-6-oxidanylidene-6-(phenylmethoxyamino)-5-(phenylmethoxycarbonylamino)hexyl] methanesulfonate

Systemtic Name: [(5S)-6-oxidanylidene-6-(phenylmethoxyamino)-5-(phenylmethoxycarbonylamino)hexyl] methanesulfonate Openeye Name: [(5S)-6-(benzyloxyamino)-5-(benzyloxycarbonylamino)-6-oxo-hexyl] methanesulfonate CAS Name: methanesulfonic acid [(5S)-6-oxo-6-(phenylmethoxyamino)-5-(phenylmethoxycarbonylamino)hexyl] ester IUPAC Name: [(5S)-6-oxo-6-(phenylmethoxyamino)-5-(phenylmethoxycarbonylamino)hexyl] methanesulfonate Traditional Name: methanesulfonic acid [(5S)-6-(benzoxyamino)-5-(benzyloxycarbonylamino)-6-keto-hexyl] ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCC(C(=O)NOCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCCCC[C@@H](C(=O)NOCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O7S/c1-32(27,28)31-15-9-8-14-20(21(25)24-30-17-19-12-6-3-7-13-19)23-22(26)29-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1