2-[2-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-bis(fluoranyl)pyridin-4-yl]-methyl-amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-bis(fluoranyl)pyridin-4-yl]-methyl-amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-pyridyl]-methyl-amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-pyridinyl]-methylamino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoropyridin-4-yl]-methylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(2-amidinophenoxy)-6-[3-(dimethylamino)phenoxy]-3,5-difluoro-4-pyridyl]-methyl-amino]acetyl]amino]acetic acid Formula: C25H26F2N6O5 MolecularWeight: 528.507946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OC2=NC(=C(C(=C2F)N(C)CC(=O)NCC(=O)O)F)OC3=CC=CC=C3C(=N)N

Isomeric SMILES

CN(C)C1=CC(=CC=C1)OC2=NC(=C(C(=C2F)N(C)CC(=O)NCC(=O)O)F)OC3=CC=CC=C3C(=N)N

InChI

InChI=1S/C25H26F2N6O5/c1-32(2)14-7-6-8-15(11-14)37-24-20(26)22(33(3)13-18(34)30-12-19(35)36)21(27)25(31-24)38-17-10-5-4-9-16(17)23(28)29/h4-11H,12-13H2,1-3H3,(H3,28,29)(H,30,34)(H,35,36)