(2S)-3-methyl-2-[(4-methylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(4-methylsulfonylphenyl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(4-methylsulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(4-methylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-2-[(4-mesylbenzoyl)amino]-3-methyl-butyrate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

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

InChI

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