2-[(4,6-dimethyl-2-sulfanylidene-1,4-dihydropyrimidin-3-yl)amino]-2-(4-methylphenyl)sulfonyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name: 2-[(4,6-dimethyl-2-sulfanylidene-1,4-dihydropyrimidin-3-yl)amino]-2-(4-methylphenyl)sulfonyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: 6-(tert-butoxycarbonylamino)-2-[(4,6-dimethyl-2-thioxo-1,4-dihydropyrimidin-3-yl)amino]-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 2-[(4,6-dimethyl-2-sulfanylidene-1,4-dihydropyrimidin-3-yl)amino]-2-(4-methylphenyl)sulfonyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(4,6-dimethyl-2-sulfanylidene-1,4-dihydropyrimidin-3-yl)amino]-2-(4-methylphenyl)sulfonyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 6-(tert-butoxycarbonylamino)-2-[(4,6-dimethyl-2-thioxo-1,4-dihydropyrimidin-3-yl)amino]-2-tosyl-hexanoic acid Formula: C24H36N4O6S2 MolecularWeight: 540.69584

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(NC(=S)N1NC(CCCCNC(=O)OC(C)(C)C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CC1C=C(NC(=S)N1NC(CCCCNC(=O)OC(C)(C)C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C24H36N4O6S2/c1-16-9-11-19(12-10-16)36(32,33)24(20(29)30,27-28-18(3)15-17(2)26-21(28)35)13-7-8-14-25-22(31)34-23(4,5)6/h9-12,15,18,27H,7-8,13-14H2,1-6H3,(H,25,31)(H,26,35)(H,29,30)