3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]pent-4-ynoic acid

Systemtic Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]pent-4-ynoic acid Openeye Name: 3-[3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoylamino]pent-4-ynoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-pentynoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoylamino]pent-4-ynoic acid Traditional Name: 3-[3-[(5-amidinobenzofuran-2-carbonyl)amino]propanoylamino]pent-4-ynoic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CCNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=N)N

Isomeric SMILES

C#CC(CC(=O)O)NC(=O)CCNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=N)N

InChI

InChI=1S/C18H18N4O5/c1-2-12(9-16(24)25)22-15(23)5-6-21-18(26)14-8-11-7-10(17(19)20)3-4-13(11)27-14/h1,3-4,7-8,12H,5-6,9H2,(H3,19,20)(H,21,26)(H,22,23)(H,24,25)