7-dimethylsulfonio-6-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptanoate

Systemtic Name: 7-dimethylsulfonio-6-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-7-dimethylsulfonio-6-oxo-heptanoate CAS Name: 7-dimethylsulfonio-6-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]heptanoate IUPAC Name: 7-dimethylsulfonio-6-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-7-dimethylsulfonio-6-keto-enanthate Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6S/c1-35(2)18-21(29)14-9-15-22(25(31)32)27-24(30)23(16-19-10-5-3-6-11-19)28-26(33)34-17-20-12-7-4-8-13-20/h3-8,10-13,22-23H,9,14-18H2,1-2H3,(H2-,27,28,30,31,32,33)