5-azanyl-2-[[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-4-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-pyridinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-4-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 2-[[2-(6-amidino-1H-benzimidazol-2-yl)isonicotinoyl]amino]-5-amino-5-keto-valeric acid Formula: C19H19N7O4 MolecularWeight: 409.39866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=NC=CC(=C3)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=NC=CC(=C3)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C19H19N7O4/c20-15(27)4-3-12(19(29)30)26-18(28)10-5-6-23-14(8-10)17-24-11-2-1-9(16(21)22)7-13(11)25-17/h1-2,5-8,12H,3-4H2,(H2,20,27)(H3,21,22)(H,24,25)(H,26,28)(H,29,30)