2-[2-[[1-azanyl-3-(1H-imidazol-2-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[[1-azanyl-3-(1H-imidazol-2-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[[2-amino-1-(1H-imidazol-2-ylmethyl)-2-oxo-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[[1-amino-3-(1H-imidazol-2-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[[1-amino-3-(1H-imidazol-2-yl)-1-oxopropan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[[2-amino-1-(1H-imidazol-2-ylmethyl)-2-keto-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C30H29N7O4 MolecularWeight: 551.59576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C(=O)NC(CC6=NC=CN6)C(=O)N

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C(=O)NC(CC6=NC=CN6)C(=O)N

InChI

InChI=1S/C30H29N7O4/c31-27(38)24(16-26-32-12-13-33-26)36-29(39)22-10-6-17-14-18(7-9-21(17)34-22)28-35-23-15-19(30(40)41)8-11-25(23)37(28)20-4-2-1-3-5-20/h6-15,20,24H,1-5,16H2,(H2,31,38)(H,32,33)(H,36,39)(H,40,41)