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

Systemtic Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[3-[(5-amidinobenzofuran-2-carbonyl)amino]propanoylamino]-3-(3-pyridyl)propionic acid Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C21H21N5O5/c22-20(23)12-3-4-16-14(8-12)9-17(31-16)21(30)25-7-5-18(27)26-15(10-19(28)29)13-2-1-6-24-11-13/h1-4,6,8-9,11,15H,5,7,10H2,(H3,22,23)(H,25,30)(H,26,27)(H,28,29)