3-[2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-[(5-amidinobenzofuran-2-carbonyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c22-20(23)13-6-7-16-14(8-13)9-17(30-16)21(29)24-11-18(26)25-15(10-19(27)28)12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H3,22,23)(H,24,29)(H,25,26)(H,27,28)