6-dimethylsulfonio-5-oxidanylidene-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]hexanoate

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]hexanoate Openeye Name: 2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-5-oxo-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]hexanoate IUPAC Name: 6-dimethylsulfonio-5-oxo-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]hexanoate Traditional Name: 2-[(1-carbobenzoxyprolyl)amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O6S/c1-30(2)14-16(24)10-11-17(20(26)27)22-19(25)18-9-6-12-23(18)21(28)29-13-15-7-4-3-5-8-15/h3-5,7-8,17-18H,6,9-14H2,1-2H3,(H-,22,25,26,27)