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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3S/c1-16-7-9-17(10-8-16)6-3-4-13(18)15-12(14(19)20)5-11-21-2/h12H,3-11H2,1-2H3,(H,15,18)(H,19,20)/t12-/m0/s1