(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-formyl-amino]benzoyl]amino]glutaric acid Formula: C20H19N7O7 MolecularWeight: 469.40756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C=O

InChI

InChI=1S/C20H19N7O7/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/h1-4,7,9,13H,5-6,8H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,22,25,26,32)/t13-/m0/s1