3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 3-[3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 3-[3-[(5-amidinobenzofuran-2-carbonyl)amino]propanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C24H26N4O7 MolecularWeight: 482.48584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)OC

InChI

InChI=1S/C24H26N4O7/c1-33-18-6-3-13(10-19(18)34-2)16(12-22(30)31)28-21(29)7-8-27-24(32)20-11-15-9-14(23(25)26)4-5-17(15)35-20/h3-6,9-11,16H,7-8,12H2,1-2H3,(H3,25,26)(H,27,32)(H,28,29)(H,30,31)