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

Systemtic Name: 2-[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C33H31N5O4 MolecularWeight: 561.63034

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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=CC=CC=C6)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)N[C@@H](CC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C33H31N5O4/c34-30(39)28(17-20-7-3-1-4-8-20)37-32(40)26-15-11-21-18-22(12-14-25(21)35-26)31-36-27-19-23(33(41)42)13-16-29(27)38(31)24-9-5-2-6-10-24/h1,3-4,7-8,11-16,18-19,24,28H,2,5-6,9-10,17H2,(H2,34,39)(H,37,40)(H,41,42)/t28-/m0/s1