2-azanyl-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate

Systemtic Name: 2-azanyl-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate Openeye Name: 2-amino-3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]propanoate CAS Name: 2-amino-3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoate IUPAC Name: 2-amino-3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-amino-propionate Formula: C19H17N4O4- MolecularWeight: 365.36268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])N)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)[O-])N)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C19H18N4O4/c20-14(19(25)26)7-10-1-4-13(5-2-10)23-18(24)16-9-12-8-11(17(21)22)3-6-15(12)27-16/h1-6,8-9,14H,7,20H2,(H3,21,22)(H,23,24)(H,25,26)/p-1