(2S)-3-methyl-2-[methylsulfonyl-(phenylmethyl)amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[methylsulfonyl-(phenylmethyl)amino]butanoate Openeye Name: (2S)-2-[benzyl(methylsulfonyl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[methylsulfonyl-(phenylmethyl)amino]butanoate IUPAC Name: (2S)-2-[benzyl(methylsulfonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl(mesyl)amino]-3-methyl-butyrate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N(CC1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])N(CC1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H19NO4S/c1-10(2)12(13(15)16)14(19(3,17)18)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,16)/p-1/t12-/m0/s1