6-dimethylsulfonio-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-hexanoate

Systemtic Name: 6-dimethylsulfonio-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-hexanoate Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 6-dimethylsulfonio-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-oxohexanoate IUPAC Name: 6-dimethylsulfonio-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-5-oxohexanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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