2-(butylamino)-2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-(butylamino)-2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-cyclohexyl-ethanoic acid Openeye Name: 2-(butylamino)-2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-2-cyclohexyl-acetic acid CAS Name: 2-(butylamino)-2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-2-cyclohexylacetic acid IUPAC Name: 2-(butylamino)-2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-cyclohexylacetic acid Traditional Name: 2-[(5-amidinobenzofuran-2-carbonyl)amino]-2-(butylamino)-2-cyclohexyl-acetic acid Formula: C22H30N4O4 MolecularWeight: 414.498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1CCCCC1)(C(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CCCCNC(C1CCCCC1)(C(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H30N4O4/c1-2-3-11-25-22(21(28)29,16-7-5-4-6-8-16)26-20(27)18-13-15-12-14(19(23)24)9-10-17(15)30-18/h9-10,12-13,16,25H,2-8,11H2,1H3,(H3,23,24)(H,26,27)(H,28,29)