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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-(2-chloranylethanoyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2-chloroacetyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2-chloro-1-oxoethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2-chloroacetyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-(2-chloroacetyl)amino]benzoyl]amino]glutaric acid Formula: C21H20ClN7O7 MolecularWeight: 517.8792

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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)CCl

Isomeric 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)CCl

InChI

InChI=1S/C21H20ClN7O7/c22-7-14(30)29(9-11-8-24-17-16(25-11)19(34)28-21(23)27-17)12-3-1-10(2-4-12)18(33)26-13(20(35)36)5-6-15(31)32/h1-4,8,13H,5-7,9H2,(H,26,33)(H,31,32)(H,35,36)(H3,23,24,27,28,34)