2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-4-pyridyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[(3Z)-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-4-pyridinyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxopyridin-4-yl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-keto-4-pyridyl]amino]propionic acid Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NC(CO)C(=O)O)N2)N4C=CN=C4

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NC(CO)C(=O)O)/N2)N4C=CN=C4

InChI

InChI=1S/C19H18N6O4/c1-10-6-11(25-5-4-20-9-25)7-13-16(10)24-17(23-13)15-12(2-3-21-18(15)27)22-14(8-26)19(28)29/h2-7,9,14,22-24,26H,8H2,1H3,(H,28,29)/b17-15-