3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxaline-6-carbonyl]-(2-pyridyl)amino]propionic acid Formula: C26H24N6O4 MolecularWeight: 484.50656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H24N6O4/c1-31-21-10-9-18(25(35)32(13-11-23(33)34)22-4-2-3-12-29-22)15-19(21)30-20(26(31)36)14-16-5-7-17(8-6-16)24(27)28/h2-10,12,15H,11,13-14H2,1H3,(H3,27,28)(H,33,34)