2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-yl]carbonylamino]-2-piperidin-1-yl-propanoic acid

Systemtic Name: 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-yl]carbonylamino]-2-piperidin-1-yl-propanoic acid Openeye Name: 2-[[5-[(E)-N'-benzyloxycarbonylcarbamimidoyl]benzofuran-2-carbonyl]amino]-2-(1-piperidyl)propanoic acid CAS Name: 2-[[[5-[(E)-amino(phenylmethoxycarbonylimino)methyl]-2-benzofuranyl]-oxomethyl]amino]-2-(1-piperidinyl)propanoic acid IUPAC Name: 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-carbonyl]amino]-2-piperidin-1-ylpropanoic acid Traditional Name: 2-[[5-[(E)-N'-carbobenzoxyamidino]benzofuran-2-carbonyl]amino]-2-piperidino-propionic acid Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)C1=CC2=C(O1)C=CC(=C2)C(=NC(=O)OCC3=CC=CC=C3)N)N4CCCCC4

Isomeric SMILES

CC(C(=O)O)(NC(=O)C1=CC2=C(O1)C=CC(=C2)/C(=N\C(=O)OCC3=CC=CC=C3)/N)N4CCCCC4

InChI

InChI=1S/C26H28N4O6/c1-26(24(32)33,30-12-6-3-7-13-30)29-23(31)21-15-19-14-18(10-11-20(19)36-21)22(27)28-25(34)35-16-17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,29,31)(H,32,33)(H2,27,28,34)