3-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]-1-piperidyl]propanoic acid CAS Name: 3-[4-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]piperidino]propionic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C25H28N4O4/c26-24(27)22-19-15-17(14-16-4-2-1-3-5-16)6-7-20(19)33-23(22)25(32)28-18-8-11-29(12-9-18)13-10-21(30)31/h1-7,15,18H,8-14H2,(H3,26,27)(H,28,32)(H,30,31)