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

Systemtic Name: 3-[4-[(3-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[(3-carbamimidoylbenzofuran-2-carbonyl)amino]-1-piperidyl]propanoic acid CAS Name: 3-[4-[[(3-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[(3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[(3-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=C(C3=CC=CC=C3O2)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(C3=CC=CC=C3O2)C(=N)N)CCC(=O)O

InChI

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