2-[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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

CC(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/C29H31N5O4/c1-16(2)25(26(30)35)33-28(36)22-12-8-17-14-18(9-11-21(17)31-22)27-32-23-15-19(29(37)38)10-13-24(23)34(27)20-6-4-3-5-7-20/h8-16,20,25H,3-7H2,1-2H3,(H2,30,35)(H,33,36)(H,37,38)/t25-/m0/s1