(2S,3S)-2-(azepan-1-ylsulfonylazaniumyl)-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-(azepan-1-ylsulfonylazaniumyl)-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(azepan-1-ylsulfonylammonio)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(1-azepanylsulfonylammonio)-3-methylpentanoate IUPAC Name: (2S,3S)-2-(azepan-1-ylsulfonylazaniumyl)-3-methylpentanoate Traditional Name: (2S,3S)-2-(azepan-1-ylsulfonylammonio)-3-methyl-valerate Formula: C12H24N2O4S MolecularWeight: 292.39496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4S/c1-3-10(2)11(12(15)16)13-19(17,18)14-8-6-4-5-7-9-14/h10-11,13H,3-9H2,1-2H3,(H,15,16)/t10-,11-/m0/s1