[(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23FN2O4S/c1-14(19(25)23-17-10-6-9-16(22)13-17)28-21(27)18(11-12-29-2)24-20(26)15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t14-,18+/m1/s1