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

Systemtic Name: 2-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]-2-piperidin-1-yl-propanoic acid Openeye Name: 2-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]-2-(1-piperidyl)propanoic acid CAS Name: 2-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]-2-(1-piperidinyl)propanoic acid IUPAC Name: 2-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-piperidin-1-ylpropanoic acid Traditional Name: 2-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]-2-piperidino-propionic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)C1=C(C2=C(O1)C=CC(=C2)CC3=CC=CC=C3)C(=N)N)N4CCCCC4

Isomeric SMILES

CC(C(=O)O)(NC(=O)C1=C(C2=C(O1)C=CC(=C2)CC3=CC=CC=C3)C(=N)N)N4CCCCC4

InChI

InChI=1S/C25H28N4O4/c1-25(24(31)32,29-12-6-3-7-13-29)28-23(30)21-20(22(26)27)18-15-17(10-11-19(18)33-21)14-16-8-4-2-5-9-16/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3,(H3,26,27)(H,28,30)(H,31,32)