2-[[2-(aminocarbamoyl)-4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[2-(aminocarbamoyl)-4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-(hydrazinecarbonyl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-(hydrazinecarbonyl)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-(hydrazinecarbonyl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-2-carbazoyl-benzoyl]amino]glutaric acid Formula: C20H21N9O7 MolecularWeight: 499.43684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NN)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)NN)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N9O7/c21-20-27-15-14(18(34)28-20)25-9(7-24-15)6-23-8-1-2-10(11(5-8)17(33)29-22)16(32)26-12(19(35)36)3-4-13(30)31/h1-2,5,7,12,23H,3-4,6,22H2,(H,26,32)(H,29,33)(H,30,31)(H,35,36)(H3,21,24,27,28,34)