3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]propanoic acid

Systemtic Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]propanoic acid Openeye Name: 3-[3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoylamino]propanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoylamino]propanoic acid Traditional Name: 3-[3-[(5-amidinobenzofuran-2-carbonyl)amino]propanoylamino]propionic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NCCC(=O)NCCC(=O)O

InChI

InChI=1S/C16H18N4O5/c17-15(18)9-1-2-11-10(7-9)8-12(25-11)16(24)20-5-3-13(21)19-6-4-14(22)23/h1-2,7-8H,3-6H2,(H3,17,18)(H,19,21)(H,20,24)(H,22,23)