2-[[4-[(2-azanyl-4-oxidanylidene-5-prop-2-ynyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-5-prop-2-ynyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-5-prop-2-ynyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-5-prop-2-ynyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-5-prop-2-ynyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-5-propargyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C22H25N7O6 MolecularWeight: 483.4772

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H25N7O6/c1-2-9-29-14(11-25-18-17(29)20(33)28-22(23)27-18)10-24-13-5-3-12(4-6-13)19(32)26-15(21(34)35)7-8-16(30)31/h1,3-6,14-15,24H,7-11H2,(H,26,32)(H,30,31)(H,34,35)(H4,23,25,27,28,33)