4-methylsulfonyl-2-[(2,4,5-trimethylfuran-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[(2,4,5-trimethylfuran-3-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo-(2,4,5-trimethyl-3-furanyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[(2,4,5-trimethyl-3-furoyl)amino]butyric acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O)C)C

InChI

InChI=1S/C13H19NO6S/c1-7-8(2)20-9(3)11(7)12(15)14-10(13(16)17)5-6-21(4,18)19/h10H,5-6H2,1-4H3,(H,14,15)(H,16,17)