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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCC(C1)NC(=O)C2=C(C3=CC=CC=C3O2)C(=N)N

Isomeric SMILES

CC(C(=O)O)N1CCCC(C1)NC(=O)C2=C(C3=CC=CC=C3O2)C(=N)N

InChI

InChI=1S/C18H22N4O4/c1-10(18(24)25)22-8-4-5-11(9-22)21-17(23)15-14(16(19)20)12-6-2-3-7-13(12)26-15/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H3,19,20)(H,21,23)(H,24,25)