(2R)-3-methyl-2-[[7-(propan-2-ylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[7-(propan-2-ylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]butanoic acid Openeye Name: (2R)-2-[[7-(isopropylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2R)-3-methyl-2-[[7-[[oxo-(propan-2-ylamino)methyl]amino]-2-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[7-(propan-2-ylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]butanoic acid Traditional Name: (2R)-2-[[7-(isopropylcarbamoylamino)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butyric acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)NC(=O)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-11(2)19(20(25)26)24-31(28,29)14-6-8-17-16(10-14)15-7-5-13(9-18(15)30-17)23-21(27)22-12(3)4/h5-12,19,24H,1-4H3,(H,25,26)(H2,22,23,27)/t19-/m1/s1