2-[[4-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-en-1-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-en-1-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]-1-cyclohex-3-enyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-5-formyl-4-keto-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]glutaric acid Formula: C20H25N7O7 MolecularWeight: 475.4552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CNC3=C(N2C=O)C(=O)N=C(N3)N

Isomeric SMILES

C1CC(=CCC1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CNC3=C(N2C=O)C(=O)N=C(N3)N

InChI

InChI=1S/C20H25N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h3,8-10,13,22H,1-2,4-7H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)