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

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methyl-amino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-methyl-amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-methylamino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-methylamino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]-methyl-amino]glutaric acid Formula: C20H21N7O6 MolecularWeight: 455.42404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC(=O)O)C(=O)O)C(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CN([C@@H](CCC(=O)O)C(=O)O)C(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H21N7O6/c1-27(13(19(32)33)6-7-14(28)29)18(31)10-2-4-11(5-3-10)22-8-12-9-23-16-15(24-12)17(30)26-20(21)25-16/h2-5,9,13,22H,6-8H2,1H3,(H,28,29)(H,32,33)(H3,21,23,25,26,30)/t13-/m0/s1