2-[3-[(6-carbamimidoylpyridin-3-yl)carbonylcarbamoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[(6-carbamimidoylpyridin-3-yl)carbonylcarbamoylamino]phenoxy]ethanoic acid Openeye Name: 2-[3-[(6-carbamimidoylpyridine-3-carbonyl)carbamoylamino]phenoxy]acetic acid CAS Name: 2-[3-[[[[(6-carbamimidoyl-3-pyridinyl)-oxomethyl]amino]-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[3-[(6-carbamimidoylpyridine-3-carbonyl)carbamoylamino]phenoxy]acetic acid Traditional Name: 2-[3-[(6-amidinonicotinoyl)carbamoylamino]phenoxy]acetic acid Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)NC(=O)NC(=O)C2=CN=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)NC(=O)NC(=O)C2=CN=C(C=C2)C(=N)N

InChI

InChI=1S/C16H15N5O5/c17-14(18)12-5-4-9(7-19-12)15(24)21-16(25)20-10-2-1-3-11(6-10)26-8-13(22)23/h1-7H,8H2,(H3,17,18)(H,22,23)(H2,20,21,24,25)