6-dimethylsulfonio-5-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)propanoylamino]hexanoate

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)propanoylamino]hexanoate Openeye Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-5-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]hexanoate IUPAC Name: 6-dimethylsulfonio-5-oxo-2-[2-(phenylmethoxycarbonylamino)propanoylamino]hexanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)C[S+](C)C)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(CCC(=O)C[S+](C)C)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H26N2O6S/c1-13(20-19(26)27-11-14-7-5-4-6-8-14)17(23)21-16(18(24)25)10-9-15(22)12-28(2)3/h4-8,13,16H,9-12H2,1-3H3,(H2-,20,21,23,24,25,26)