4-methyl-2-[(3-methylsulfonylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(3-methylsulfonylphenyl)carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid Traditional Name: 2-[(3-mesylbenzoyl)amino]-4-methyl-valeric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-9(2)7-12(14(17)18)15-13(16)10-5-4-6-11(8-10)21(3,19)20/h4-6,8-9,12H,7H2,1-3H3,(H,15,16)(H,17,18)