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

Systemtic Name: 6-dimethylsulfonio-5-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-5-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]hexanoate IUPAC Name: 6-dimethylsulfonio-5-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30N2O6S/c1-34(2)17-20(28)13-14-21(24(30)31)26-23(29)22(15-18-9-5-3-6-10-18)27-25(32)33-16-19-11-7-4-8-12-19/h3-12,21-22H,13-17H2,1-2H3,(H2-,26,27,29,30,31,32)