(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-phenyl-propionic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C27H27N3O4/c31-26(29-23(27(32)33)15-18-7-3-1-4-8-18)19-11-12-24-22(16-19)28-25(20-13-14-34-17-20)30(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,16-17,21,23H,2,5-6,9-10,15H2,(H,29,31)(H,32,33)/t23-/m0/s1