(2S,3S)-2-(azepan-1-ylsulfonylazaniumyl)-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-(azepan-1-ylsulfonylazaniumyl)-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-(azepan-1-ylsulfonylammonio)-3-hydroxy-butanoate CAS Name: (2S,3S)-2-(1-azepanylsulfonylammonio)-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-(azepan-1-ylsulfonylazaniumyl)-3-hydroxybutanoate Traditional Name: (2S,3S)-2-(azepan-1-ylsulfonylammonio)-3-hydroxy-butyrate Formula: C10H20N2O5S MolecularWeight: 280.3412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O5S/c1-8(13)9(10(14)15)11-18(16,17)12-6-4-2-3-5-7-12/h8-9,11,13H,2-7H2,1H3,(H,14,15)/t8-,9-/m0/s1