(2S,3S)-3-methyl-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[(3R)-3-methyl-1-piperidyl]sulfonylammonio]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(3R)-3-methyl-1-piperidinyl]sulfonylammonio]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[(3R)-3-methylpiperidino]sulfonylammonio]valerate Formula: C12H24N2O4S MolecularWeight: 292.39496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]S(=O)(=O)N1CCCC(C1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]S(=O)(=O)N1CCC[C@H](C1)C

InChI

InChI=1S/C12H24N2O4S/c1-4-10(3)11(12(15)16)13-19(17,18)14-7-5-6-9(2)8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11+/m1/s1