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

Systemtic Name: (2S)-3-[4-azido-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-azido-3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-azido-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-azido-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-[4-azido-3-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C30H28N6O6 MolecularWeight: 568.57992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N6O6/c31-35-34-23-9-6-18(14-19(23)8-11-27(37)38)15-25(30(40)41)33-29(39)20-7-10-26-24(16-20)32-28(21-12-13-42-17-21)36(26)22-4-2-1-3-5-22/h6-14,16-17,22,25H,1-5,15H2,(H,33,39)(H,37,38)(H,40,41)/b11-8+/t25-/m0/s1