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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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