diethyl 2-[[4-[3-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[3-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[3-(2-acetamido-4-keto-1H-pteridin-6-yl)propyl-tosyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C34H39N7O9S MolecularWeight: 721.77996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C34H39N7O9S/c1-5-49-28(43)18-17-27(33(46)50-6-2)38-31(44)23-11-13-25(14-12-23)41(51(47,48)26-15-9-21(3)10-16-26)19-7-8-24-20-35-30-29(37-24)32(45)40-34(39-30)36-22(4)42/h9-16,20,27H,5-8,17-19H2,1-4H3,(H,38,44)(H2,35,36,39,40,42,45)