5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-4-yl]carbonylamino]-3-iodanyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]piperidin-4-yl]carbonylamino]-3-iodanyl-1H-indole-2-carboxylic acid Openeye Name: 5-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-3-iodo-1H-indole-2-carboxylic acid CAS Name: 5-[[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-iodo-1H-indole-2-carboxylic acid IUPAC Name: 5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-3-iodo-1H-indole-2-carboxylic acid Traditional Name: 5-[[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]isonipecotoyl]amino]-3-iodo-1H-indole-2-carboxylic acid Formula: C33H33IN6O5 MolecularWeight: 720.55679

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCNCC4)C(=O)NC5=CC6=C(C=C5)NC(=C6I)C(=O)O)N=C2C7=COC=C7

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCNCC4)C(=O)NC5=CC6=C(C=C5)NC(=C6I)C(=O)O)N=C2C7=COC=C7

InChI

InChI=1S/C33H33IN6O5/c34-27-23-17-21(7-8-24(23)37-28(27)31(42)43)36-32(44)33(11-13-35-14-12-33)39-30(41)19-6-9-26-25(16-19)38-29(20-10-15-45-18-20)40(26)22-4-2-1-3-5-22/h6-10,15-18,22,35,37H,1-5,11-14H2,(H,36,44)(H,39,41)(H,42,43)