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

Systemtic Name: diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-tosyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C30H33N7O8S MolecularWeight: 651.69012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)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(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H33N7O8S/c1-4-44-24(38)15-14-23(29(41)45-5-2)34-27(39)19-8-10-21(11-9-19)37(46(42,43)22-12-6-18(3)7-13-22)17-20-16-32-26-25(33-20)28(40)36-30(31)35-26/h6-13,16,23H,4-5,14-15,17H2,1-3H3,(H,34,39)(H3,31,32,35,36,40)