2-[[4-[1-azanyl-1-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[1-azanyl-1-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-amino-1-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-amino-1-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-amino-1-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-amino-1-(2-amino-4-keto-1H-pteridin-6-yl)ethyl]benzoyl]amino]glutaric acid Formula: C20H21N7O6 MolecularWeight: 455.42404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)(C2=CN=C3C(=N2)C(=O)N=C(N3)N)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)(C2=CN=C3C(=N2)C(=O)N=C(N3)N)N

InChI

InChI=1S/C20H21N7O6/c1-20(22,12-8-23-15-14(25-12)17(31)27-19(21)26-15)10-4-2-9(3-5-10)16(30)24-11(18(32)33)6-7-13(28)29/h2-5,8,11H,6-7,22H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)