3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-1-piperidyl]propanoic acid CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]piperidino]propionic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C18H22N4O4/c19-17(20)11-1-2-14-12(9-11)10-15(26-14)18(25)21-13-3-6-22(7-4-13)8-5-16(23)24/h1-2,9-10,13H,3-8H2,(H3,19,20)(H,21,25)(H,23,24)