(2S)-3-methyl-2-[(2-methylphenyl)methyl-methylsulfonyl-amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(2-methylphenyl)methyl-methylsulfonyl-amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[methylsulfonyl(o-tolylmethyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]butanoic acid Traditional Name: (2S)-2-[mesyl-(2-methylbenzyl)amino]-3-methyl-butyric acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C(C(C)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN([C@@H](C(C)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H21NO4S/c1-10(2)13(14(16)17)15(20(4,18)19)9-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H,16,17)/t13-/m0/s1