(2S)-2-[2-(3-fluorophenyl)ethanoylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[2-(3-fluorophenyl)ethanoylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[2-(3-fluorophenyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[[2-(3-fluorophenyl)acetyl]amino]-4-mesyl-butyrate Formula: C13H15FNO5S- MolecularWeight: 316.325303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CC1=CC(=CC=C1)F

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CC1=CC(=CC=C1)F

InChI

InChI=1S/C13H16FNO5S/c1-21(19,20)6-5-11(13(17)18)15-12(16)8-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)/p-1/t11-/m0/s1