(2S)-6-dimethylsulfonio-5-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (2S)-6-dimethylsulfonio-5-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: (2S)-6-dimethylsulfonio-5-oxo-2-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: (2S)-6-dimethylsulfonio-5-oxo-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-dimethylsulfonio-5-keto-hexanoate Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-23(2)11-13(18)8-9-14(15(19)20)17-16(21)22-10-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H-,17,19,20,21)/t14-/m0/s1