2-[[4-[[2-azanyl-4-oxidanylidene-5-phenethyl-3-(phenethylamino)-7,8-dihydro-6H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid hydrochloride

Systemtic Name: 2-[[4-[[2-azanyl-4-oxidanylidene-5-phenethyl-3-(phenethylamino)-7,8-dihydro-6H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid hydrochloride Openeye Name: 2-[[4-[[2-amino-4-oxo-5-phenethyl-3-(phenethylamino)-7,8-dihydro-6H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid hydrochloride CAS Name: 2-[[[4-[[2-amino-4-oxo-5-phenethyl-3-(phenethylamino)-7,8-dihydro-6H-pteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid hydrochloride IUPAC Name: 2-[[4-[[2-amino-4-oxo-5-phenethyl-3-(phenethylamino)-7,8-dihydro-6H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid hydrochloride Traditional Name: 2-[[4-[[2-amino-4-keto-5-phenethyl-3-(phenethylamino)-7,8-dihydro-6H-pteridin-6-yl]methylamino]benzoyl]amino]glutaric acid hydrochloride Formula: C35H41ClN8O6 MolecularWeight: 705.20304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1)N=C(N(C2=O)NCCC3=CC=CC=C3)N)CCC4=CC=CC=C4)CNC5=CC=C(C=C5)C(=O)NC(CCC(=O)O)C(=O)O.Cl

Isomeric SMILES

C1C(N(C2=C(N1)N=C(N(C2=O)NCCC3=CC=CC=C3)N)CCC4=CC=CC=C4)CNC5=CC=C(C=C5)C(=O)NC(CCC(=O)O)C(=O)O.Cl

InChI

InChI=1S/C35H40N8O6.ClH/c36-35-41-31-30(33(47)43(35)39-19-17-23-7-3-1-4-8-23)42(20-18-24-9-5-2-6-10-24)27(22-38-31)21-37-26-13-11-25(12-14-26)32(46)40-28(34(48)49)15-16-29(44)45;/h1-14,27-28,37-39H,15-22H2,(H2,36,41)(H,40,46)(H,44,45)(H,48,49);1H