(2S)-2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyrate Formula: C16H21FN3O3S- MolecularWeight: 354.419643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FN3O3S/c1-24-11-6-14(15(21)22)18-16(23)20-9-7-19(8-10-20)13-4-2-12(17)3-5-13/h2-5,14H,6-11H2,1H3,(H,18,23)(H,21,22)/p-1/t14-/m0/s1