2-[[4-[[6-(aminocarbonylcarbamoyl)pyridin-2-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[6-(aminocarbonylcarbamoyl)pyridin-2-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(6-allophanoyl-2-pyridyl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[6-[(carbamoylamino)-oxomethyl]-2-pyridinyl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[6-(carbamoylcarbamoyl)pyridin-2-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(6-allophanoyl-2-pyridyl)methylamino]benzoyl]amino]glutaric acid Formula: C20H21N5O7 MolecularWeight: 443.41004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)NC(=O)N

Isomeric SMILES

C1=CC(=NC(=C1)CNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)NC(=O)N

InChI

InChI=1S/C20H21N5O7/c21-20(32)25-18(29)14-3-1-2-13(23-14)10-22-12-6-4-11(5-7-12)17(28)24-15(19(30)31)8-9-16(26)27/h1-7,15,22H,8-10H2,(H,24,28)(H,26,27)(H,30,31)(H3,21,25,29,32)