3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]-5-(1H-indol-3-yl)pentanoic acid

Systemtic Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]-5-(1H-indol-3-yl)pentanoic acid Openeye Name: 3-[3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoylamino]-5-(1H-indol-3-yl)pentanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]amino]-5-(1H-indol-3-yl)pentanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoylamino]-5-(1H-indol-3-yl)pentanoic acid Traditional Name: 3-[3-[(5-amidinobenzofuran-2-carbonyl)amino]propanoylamino]-5-(1H-indol-3-yl)valeric acid Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(CC(=O)O)NC(=O)CCNC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(CC(=O)O)NC(=O)CCNC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C26H27N5O5/c27-25(28)15-6-8-21-17(11-15)12-22(36-21)26(35)29-10-9-23(32)31-18(13-24(33)34)7-5-16-14-30-20-4-2-1-3-19(16)20/h1-4,6,8,11-12,14,18,30H,5,7,9-10,13H2,(H3,27,28)(H,29,35)(H,31,32)(H,33,34)