2-[[4-[[2-azanyl-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2-azanyl-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-amino-5-(2-ethoxy-2-oxo-acetyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-amino-5-(2-ethoxy-1,2-dioxoethyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-amino-5-(2-ethoxy-2-oxoacetyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-5-ethoxalyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C23H27N7O9 MolecularWeight: 545.50198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(=O)N1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H27N7O9/c1-2-39-22(38)20(35)30-13(10-26-17-16(30)19(34)29-23(24)28-17)9-25-12-5-3-11(4-6-12)18(33)27-14(21(36)37)7-8-15(31)32/h3-6,13-14,25H,2,7-10H2,1H3,(H,27,33)(H,31,32)(H,36,37)(H4,24,26,28,29,34)