5-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]-1-prop-2-ynyl-indole-2-carboxylic acid

Systemtic Name: 5-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]-1-prop-2-ynyl-indole-2-carboxylic acid Openeye Name: 5-[[1-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1-prop-2-ynyl-indole-2-carboxylic acid CAS Name: 5-[[[1-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]-1-prop-2-ynyl-2-indolecarboxylic acid IUPAC Name: 5-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1-prop-2-ynylindole-2-carboxylic acid Traditional Name: 5-[[1-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1-propargyl-indole-2-carboxylic acid Formula: C36H35N5O5 MolecularWeight: 617.6936

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)NC(=O)C3(CCCC3)NC(=O)C4=CC5=C(C=C4)N(C(=N5)C6=COC=C6)C7CCCCC7)C=C1C(=O)O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)NC(=O)C3(CCCC3)NC(=O)C4=CC5=C(C=C4)N(C(=N5)C6=COC=C6)C7CCCCC7)C=C1C(=O)O

InChI

InChI=1S/C36H35N5O5/c1-2-17-40-29-13-11-26(19-25(29)21-31(40)34(43)44)37-35(45)36(15-6-7-16-36)39-33(42)23-10-12-30-28(20-23)38-32(24-14-18-46-22-24)41(30)27-8-4-3-5-9-27/h1,10-14,18-22,27H,3-9,15-17H2,(H,37,45)(H,39,42)(H,43,44)