6-dimethylsulfonio-5-oxidanylidene-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-5-oxohexanoate IUPAC Name: 6-dimethylsulfonio-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxohexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7S/c1-29(2)12-14(23)8-9-15(18(25)26)20-17(24)16(10-22)21-19(27)28-11-13-6-4-3-5-7-13/h3-7,15-16,22H,8-12H2,1-2H3,(H2-,20,21,24,25,26,27)