(2R)-2-[[7-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[[7-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[[7-[4-(2-hydroxyethyl)triazol-1-yl]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[7-[4-(2-hydroxyethyl)-1-triazolyl]-3-dibenzofuranyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[[7-[4-(2-hydroxyethyl)triazol-1-yl]dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2R)-2-[[7-[4-(2-hydroxyethyl)triazol-1-yl]dibenzofuran-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=C(C=C3)N4C=C(N=N4)CCO

Isomeric SMILES

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=C(C=C3)N4C=C(N=N4)CCO

InChI

InChI=1S/C21H22N4O6S/c1-12(2)20(21(27)28)23-32(29,30)15-4-6-17-16-5-3-14(9-18(16)31-19(17)10-15)25-11-13(7-8-26)22-24-25/h3-6,9-12,20,23,26H,7-8H2,1-2H3,(H,27,28)/t20-/m1/s1