(2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-methyl-butanoate

Systemtic Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-methyl-butanoate Openeye Name: (2S)-2-(azepan-1-ylsulfonylammonio)-3-methyl-butanoate CAS Name: (2S)-2-(1-azepanylsulfonylammonio)-3-methylbutanoate IUPAC Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-3-methylbutanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylammonio)-3-methyl-butyrate Formula: C11H22N2O4S MolecularWeight: 278.36838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]S(=O)(=O)N1CCCCCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH2+]S(=O)(=O)N1CCCCCC1

InChI

InChI=1S/C11H22N2O4S/c1-9(2)10(11(14)15)12-18(16,17)13-7-5-3-4-6-8-13/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t10-/m0/s1