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

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]piperidin-1-yl]propanoic acid; 3-phenyloxiran-2-one Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-1-piperidyl]propanoic acid; 3-phenyloxiran-2-one CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-piperidinyl]propanoic acid; 3-phenyl-2-oxiranone IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]piperidin-1-yl]propanoic acid; 3-phenyloxiran-2-one Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]piperidino]propionic acid; 3-phenyloxiran-2-one Formula: C26H28N4O6 MolecularWeight: 492.52372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)CCC(=O)O.C1=CC=C(C=C1)C2C(=O)O2

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)CCC(=O)O.C1=CC=C(C=C1)C2C(=O)O2

InChI

InChI=1S/C18H22N4O4.C8H6O2/c19-17(20)11-1-2-14-12(9-11)10-15(26-14)18(25)21-13-3-6-22(7-4-13)8-5-16(23)24;9-8-7(10-8)6-4-2-1-3-5-6/h1-2,9-10,13H,3-8H2,(H3,19,20)(H,21,25)(H,23,24);1-5,7H