6-dimethylsulfonio-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxidanylidene-hexanoate

Systemtic Name: 6-dimethylsulfonio-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxidanylidene-hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-2-[[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-5-oxohexanoate IUPAC Name: 6-dimethylsulfonio-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxohexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O7S/c1-35(2)16-20(29)12-13-21(24(31)32)26-23(30)22(14-17-8-10-19(28)11-9-17)27-25(33)34-15-18-6-4-3-5-7-18/h3-11,21-22H,12-16H2,1-2H3,(H3-,26,27,28,30,31,32,33)