(2S)-2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-fluorobenzyl)-mesyl-amino]-3-methyl-butyric acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=C(C=C1)F)S(=O)(=O)C

Isomeric SMILES

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

InChI

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