(2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methyl-pentanoate

Systemtic Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methyl-pentanoate Openeye Name: (2S)-2-(azepan-1-ylsulfonylammonio)-4-methyl-pentanoate CAS Name: (2S)-2-(1-azepanylsulfonylammonio)-4-methylpentanoate IUPAC Name: (2S)-2-(azepan-1-ylsulfonylazaniumyl)-4-methylpentanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylammonio)-4-methyl-valerate Formula: C12H24N2O4S MolecularWeight: 292.39496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4S/c1-10(2)9-11(12(15)16)13-19(17,18)14-7-5-3-4-6-8-14/h10-11,13H,3-9H2,1-2H3,(H,15,16)/t11-/m0/s1