3-(3-azido-4-oxidanyl-phenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-azido-4-oxidanyl-phenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-(3-azido-4-hydroxy-phenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-(3-azido-4-hydroxyphenyl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-azido-4-hydroxyphenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-(3-azido-4-hydroxy-phenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C27H26N6O5 MolecularWeight: 514.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O5/c28-32-31-21-12-16(6-9-24(21)34)13-22(27(36)37)30-26(35)17-7-8-23-20(14-17)29-25(18-10-11-38-15-18)33(23)19-4-2-1-3-5-19/h6-12,14-15,19,22,34H,1-5,13H2,(H,30,35)(H,36,37)