2-[[4-[(6-aminocarbonyl-5-azanyl-pyrazin-2-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(6-aminocarbonyl-5-azanyl-pyrazin-2-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(5-amino-6-carbamoyl-pyrazin-2-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(5-amino-6-carbamoyl-2-pyrazinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(5-amino-6-carbamoylpyrazin-2-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(5-amino-6-carbamoyl-pyrazin-2-yl)methylamino]benzoyl]amino]glutaric acid Formula: C18H20N6O6 MolecularWeight: 416.388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C(C(=N2)C(=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C(C(=N2)C(=O)N)N

InChI

InChI=1S/C18H20N6O6/c19-15-14(16(20)27)23-11(8-22-15)7-21-10-3-1-9(2-4-10)17(28)24-12(18(29)30)5-6-13(25)26/h1-4,8,12,21H,5-7H2,(H2,19,22)(H2,20,27)(H,24,28)(H,25,26)(H,29,30)