6-dimethylsulfonio-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-hexanoate

Systemtic Name: 6-dimethylsulfonio-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxohexanoate IUPAC Name: 6-dimethylsulfonio-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxohexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6S/c1-5-15(2)19(24-22(29)30-13-16-9-7-6-8-10-16)20(26)23-18(21(27)28)12-11-17(25)14-31(3)4/h6-10,15,18-19H,5,11-14H2,1-4H3,(H2-,23,24,26,27,28,29)