(2S)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C13H23N3O4S/c1-10(17)16-6-4-15(5-7-16)9-12(18)14-11(13(19)20)3-8-21-2/h11H,3-9H2,1-2H3,(H,14,18)(H,19,20)/t11-/m0/s1