(2S)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]-4-(methylthio)butyrate Formula: C13H25N3O3S MolecularWeight: 303.4209

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H25N3O3S/c1-15-6-8-16(9-7-15)5-3-12(17)14-11(13(18)19)4-10-20-2/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19)/t11-/m0/s1