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

Systemtic Name: 2-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=NC2=C(C=C1)C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C1=NC2=C(C=C1)C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C27H27N5O4/c1-15(24(28)33)29-26(34)21-11-7-16-13-17(8-10-20(16)30-21)25-31-22-14-18(27(35)36)9-12-23(22)32(25)19-5-3-2-4-6-19/h7-15,19H,2-6H2,1H3,(H2,28,33)(H,29,34)(H,35,36)/t15-/m0/s1