disodium (2S)-2-[[4-[2-(2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: disodium (2S)-2-[[4-[2-(2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioate Openeye Name: disodium (2S)-2-[[4-[2-(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]benzoyl]amino]pentanedioate CAS Name: disodium (2S)-2-[[[4-[2-(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: disodium (2S)-2-[[4-[2-(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]benzoyl]amino]pentanedioate Traditional Name: disodium (2S)-2-[[4-[2-(2-amino-4-keto-5-methyl-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]benzoyl]amino]glutarate Formula: C21H25N7Na2O6 MolecularWeight: 517.44604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CNC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CN1C(CNC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H27N7O6.2Na/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30;;/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32);;/q;2*+1/p-2/t13?,14-;;/m0../s1