3-[[4-acetamido-2-[1-(2-propan-2-ylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-[1-(2-propan-2-ylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(2-isopropylsulfanylbenzimidazol-1-yl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[1-[2-(propan-2-ylthio)-1-benzimidazolyl]propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[1-(2-propan-2-ylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-[2-(isopropylthio)benzimidazol-1-yl]-1-methyl-ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C25H30N4O7S2 MolecularWeight: 562.6583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1CC(C)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1CC(C)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C25H30N4O7S2/c1-15(2)37-25-27-20-7-5-6-8-21(20)29(25)13-16(3)36-22-11-18(26-17(4)31)9-10-23(22)38(34,35)28-19(14-30)12-24(32)33/h5-11,14-16,19,28H,12-13H2,1-4H3,(H,26,31)(H,32,33)