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

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-5-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]hexanoate IUPAC Name: 6-dimethylsulfonio-5-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-27(2)12-14(21)8-9-15(17(23)24)20-16(22)10-19-18(25)26-11-13-6-4-3-5-7-13/h3-7,15H,8-12H2,1-2H3,(H2-,19,20,22,23,24,25)