(2S)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(4-methylpiperazino)acetyl]amino]-4-(methylthio)butyric acid Formula: C12H23N3O3S MolecularWeight: 289.39432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C12H23N3O3S/c1-14-4-6-15(7-5-14)9-11(16)13-10(12(17)18)3-8-19-2/h10H,3-9H2,1-2H3,(H,13,16)(H,17,18)/t10-/m0/s1