calcium 2-[[4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: calcium 2-[[4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: calcium 2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl-formyl-amino]benzoyl]amino]pentanedioate CAS Name: calcium 2-[[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl-formylamino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: calcium 2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioate Traditional Name: calcium 2-[[4-[(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)methyl-formyl-amino]benzoyl]amino]glutarate Formula: C20H19CaN7O7 MolecularWeight: 509.48556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C20H21N7O7.Ca/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32);/q;+2/p-2