(2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m1/s1