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

Systemtic Name: (2S)-2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzyl)-mesyl-amino]-3-methyl-butyrate Formula: C13H17FNO4S- MolecularWeight: 302.341783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N(CC1=CC=CC=C1F)S(=O)(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])N(CC1=CC=CC=C1F)S(=O)(=O)C

InChI

InChI=1S/C13H18FNO4S/c1-9(2)12(13(16)17)15(20(3,18)19)8-10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3,(H,16,17)/p-1/t12-/m0/s1