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

Systemtic Name: (2S)-2-[[4-[(2-azanyl-7-methyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: (2S)-2-[[4-[(2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[4-[(2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-7-methyl-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutarate Formula: C20H21N7O6-2 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H23N7O6/c1-9-13(24-15-16(23-9)26-20(21)27-18(15)31)8-22-11-4-2-10(3-5-11)17(30)25-12(19(32)33)6-7-14(28)29/h2-5,9,12,22H,6-8H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,21,23,26,27,31)/p-2/t9?,12-/m0/s1