5-azanyl-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(1H-imidazol-5-yl)-4-oxidanylidene-hexanoic acid

Systemtic Name: 5-azanyl-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(1H-imidazol-5-yl)-4-oxidanylidene-hexanoic acid Openeye Name: 5-amino-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)-4-oxo-hexanoic acid CAS Name: 5-amino-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)-4-oxohexanoic acid IUPAC Name: 5-amino-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)-4-oxohexanoic acid Traditional Name: 5-amino-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)-4-keto-hexanoic acid Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C1=CN=CN1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)N

Isomeric SMILES

CC(C(=O)C(C1=CN=CN1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)N

InChI

InChI=1S/C27H30N6O5/c1-15(28)24(34)22(20-12-29-14-30-20)23(27(36)37)32-26(35)16-7-8-21-19(11-16)31-25(17-9-10-38-13-17)33(21)18-5-3-2-4-6-18/h7-15,18,22-23H,2-6,28H2,1H3,(H,29,30)(H,32,35)(H,36,37)