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

Systemtic Name: 2-[2-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[(2-amino-2-keto-1-methylol-ethyl)carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C27H27N5O5 MolecularWeight: 501.53378

Click to see the large picture

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(CO)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(CO)C(=O)N

InChI

InChI=1S/C27H27N5O5/c28-24(34)22(14-33)31-26(35)20-10-6-15-12-16(7-9-19(15)29-20)25-30-21-13-17(27(36)37)8-11-23(21)32(25)18-4-2-1-3-5-18/h6-13,18,22,33H,1-5,14H2,(H2,28,34)(H,31,35)(H,36,37)