(2S)-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyrate Formula: C18H26N3O3S- MolecularWeight: 364.48234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C18H27N3O3S/c1-13-5-4-6-16(14(13)2)20-8-10-21(11-9-20)18(24)19-15(17(22)23)7-12-25-3/h4-6,15H,7-12H2,1-3H3,(H,19,24)(H,22,23)/p-1/t15-/m0/s1