2-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-(2-ethoxy-2-oxidanylidene-ethanoyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-(2-ethoxy-2-oxidanylidene-ethanoyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-(2-ethoxy-2-oxo-acetyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-(2-ethoxy-1,2-dioxoethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-(2-ethoxy-2-oxoacetyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-ethoxalyl-amino]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)N(CC1CNC2=C(N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(=O)N(CC1CNC2=C(N1)C(=O)N=C(N2)N)C3=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(10-12-9-25-17-16(26-12)19(34)29-23(24)28-17)13-5-3-11(4-6-13)18(33)27-14(21(36)37)7-8-15(31)32/h3-6,12,14,26H,2,7-10H2,1H3,(H,27,33)(H,31,32)(H,36,37)(H4,24,25,28,29,34)