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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-3-ethyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-ethyl-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-ethylphenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-ethylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-3-ethyl-benzoyl]amino]glutaric acid Formula: C21H23N7O6 MolecularWeight: 469.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H23N7O6/c1-2-10-7-11(18(31)26-14(20(33)34)5-6-15(29)30)3-4-13(10)23-8-12-9-24-17-16(25-12)19(32)28-21(22)27-17/h3-4,7,9,14,23H,2,5-6,8H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H3,22,24,27,28,32)