(2S)-2-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]-4-(methylthio)butyrate Formula: C14H27N3O3S MolecularWeight: 317.44748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3S/c1-16-7-4-11(5-8-16)17(2)10-13(18)15-12(14(19)20)6-9-21-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,19,20)/t12-/m0/s1