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

Systemtic Name: 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-(cyclohexylamino)ethanoic acid Openeye Name: 2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-2-(cyclohexylamino)acetic acid CAS Name: 2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-2-(cyclohexylamino)acetic acid IUPAC Name: 2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-(cyclohexylamino)acetic acid Traditional Name: 2-[(5-amidinobenzofuran-2-carbonyl)amino]-2-(cyclohexylamino)acetic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(C(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)NC(C(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C18H22N4O4/c19-15(20)10-6-7-13-11(8-10)9-14(26-13)17(23)22-16(18(24)25)21-12-4-2-1-3-5-12/h6-9,12,16,21H,1-5H2,(H3,19,20)(H,22,23)(H,24,25)