(2S)-3-methyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(3-methylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]butanoic acid Traditional Name: (2S)-2-[(3-mesylbenzoyl)amino]-3-methyl-butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H17NO5S/c1-8(2)11(13(16)17)14-12(15)9-5-4-6-10(7-9)20(3,18)19/h4-8,11H,1-3H3,(H,14,15)(H,16,17)/t11-/m0/s1