3-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]hexanedioic acid

Systemtic Name: 3-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]hexanedioic acid Openeye Name: 3-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]hexanedioic acid CAS Name: 3-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]hexanedioic acid IUPAC Name: 3-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]hexanedioic acid Traditional Name: 3-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]adipic acid Formula: C20H21N7O6 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)CC(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)CC(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H21N7O6/c21-20-26-17-16(19(33)27-20)24-13(9-23-17)8-22-11-3-1-10(2-4-11)18(32)25-12(7-15(30)31)5-6-14(28)29/h1-4,9,12,22H,5-8H2,(H,25,32)(H,28,29)(H,30,31)(H3,21,23,26,27,33)