4-[1-cyclohexyl-5-[[(1S)-2-oxidanyl-2-oxidanylidene-1-(5-oxidanyl-1H-indol-3-yl)ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid

Systemtic Name: 4-[1-cyclohexyl-5-[[(1S)-2-oxidanyl-2-oxidanylidene-1-(5-oxidanyl-1H-indol-3-yl)ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid Openeye Name: 4-[1-cyclohexyl-5-[[(1S)-2-hydroxy-1-(5-hydroxy-1H-indol-3-yl)-2-oxo-ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid CAS Name: 4-[1-cyclohexyl-5-[[[(1S)-2-hydroxy-1-(5-hydroxy-1H-indol-3-yl)-2-oxoethyl]amino]-oxomethyl]-2-benzimidazolyl]benzoic acid IUPAC Name: 4-[1-cyclohexyl-5-[[(1S)-2-hydroxy-1-(5-hydroxy-1H-indol-3-yl)-2-oxoethyl]carbamoyl]benzimidazol-2-yl]benzoic acid Traditional Name: 4-[1-cyclohexyl-5-[[(1S)-2-hydroxy-1-(5-hydroxy-1H-indol-3-yl)-2-keto-ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid Formula: C31H28N4O6 MolecularWeight: 552.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](C4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C31H28N4O6/c36-21-11-12-24-22(15-21)23(16-32-24)27(31(40)41)34-29(37)19-10-13-26-25(14-19)33-28(35(26)20-4-2-1-3-5-20)17-6-8-18(9-7-17)30(38)39/h6-16,20,27,32,36H,1-5H2,(H,34,37)(H,38,39)(H,40,41)/t27-/m0/s1