(2S)-3-methyl-2-[[8-(5-methylfuran-2-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[8-(5-methylfuran-2-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[8-(5-methyl-2-furyl)dibenzofuran-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[8-(5-methyl-2-furanyl)-3-dibenzofuranyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[8-(5-methylfuran-2-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[8-(5-methyl-2-furyl)dibenzofuran-3-yl]sulfonylamino]butyric acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)S(=O)(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C22H21NO6S/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(18-8-4-13(3)28-18)5-9-19(17)29-20(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1