5-[3-[[(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoyl]amino]phenyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[3-[[(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoyl]amino]phenyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[3-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]phenyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[3-[[(2R)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxopropyl]amino]phenyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[3-[[(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoyl]amino]phenyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[3-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]phenyl]-2-methyl-3-furoic acid Formula: C33H32N4O6 MolecularWeight: 580.63038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=CC(=CC=C2)NC(=O)[C@@H](C)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6)C(=O)O

InChI

InChI=1S/C33H32N4O6/c1-19(31(38)35-24-8-6-7-21(15-24)29-17-26(33(40)41)20(2)43-29)34-32(39)22-11-12-28-27(16-22)36-30(23-13-14-42-18-23)37(28)25-9-4-3-5-10-25/h6-8,11-19,25H,3-5,9-10H2,1-2H3,(H,34,39)(H,35,38)(H,40,41)/t19-/m1/s1