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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4S/c1-21-7-4-10(13(19)20)15-11(17)8-16-5-2-9(3-6-16)12(14)18/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,17)(H,19,20)/t10-/m0/s1