3-methyl-2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-methyl-5-methylsulfonyl-benzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 2-[(5-mesyl-2-methyl-benzoyl)amino]-3-methyl-butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C14H19NO5S/c1-8(2)12(14(17)18)15-13(16)11-7-10(21(4,19)20)6-5-9(11)3/h5-8,12H,1-4H3,(H,15,16)(H,17,18)