(2S)-3-methyl-2-[[7-(propan-2-yloxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[7-(propan-2-yloxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-2-[[7-(isopropoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[7-[[oxo(propan-2-yloxy)methyl]amino]-3-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(propan-2-yloxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-2-[[7-(isopropoxycarbonylamino)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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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)NC(=O)OC(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=C(C=C3)NC(=O)OC(C)C

InChI

InChI=1S/C21H24N2O7S/c1-11(2)19(20(24)25)23-31(27,28)14-6-8-16-15-7-5-13(22-21(26)29-12(3)4)9-17(15)30-18(16)10-14/h5-12,19,23H,1-4H3,(H,22,26)(H,24,25)/t19-/m0/s1