(2S)-2-[[2-methyl-2-(4-methylpiperazin-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[2-methyl-2-(4-methylpiperazin-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-methyl-2-(4-methylpiperazin-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-methyl-2-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-methyl-2-(4-methylpiperazin-1-yl)propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-methyl-2-(4-methylpiperazino)propanoyl]amino]-4-(methylthio)butyric acid Formula: C14H27N3O3S MolecularWeight: 317.44748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCSC)C(=O)O)N1CCN(CC1)C

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CCSC)C(=O)O)N1CCN(CC1)C

InChI

InChI=1S/C14H27N3O3S/c1-14(2,17-8-6-16(3)7-9-17)13(20)15-11(12(18)19)5-10-21-4/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)/t11-/m0/s1