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

Systemtic Name: (2S)-2-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]-4-(methylthio)butyrate Formula: C11H21N3O3S MolecularWeight: 275.36774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N3O3S/c1-13-4-6-14(7-5-13)11(17)12-9(10(15)16)3-8-18-2/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m0/s1