(2R)-3-methyl-2-[(7-pyrimidin-5-yldibenzofuran-2-yl)sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(7-pyrimidin-5-yldibenzofuran-2-yl)sulfonylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[(7-pyrimidin-5-yldibenzofuran-2-yl)sulfonylamino]butanoic acid CAS Name: (2R)-3-methyl-2-[[7-(5-pyrimidinyl)-2-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[(7-pyrimidin-5-yldibenzofuran-2-yl)sulfonylamino]butanoic acid Traditional Name: (2R)-3-methyl-2-[[7-(5-pyrimidyl)dibenzofuran-2-yl]sulfonylamino]butyric acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C21H19N3O5S/c1-12(2)20(21(25)26)24-30(27,28)15-4-6-18-17(8-15)16-5-3-13(7-19(16)29-18)14-9-22-11-23-10-14/h3-12,20,24H,1-2H3,(H,25,26)/t20-/m1/s1