azetidine-2-carboxylic acid; (2S)-2-(butylsulfonylamino)-4-methylsulfonyl-butanoic acid

Systemtic Name: azetidine-2-carboxylic acid; (2S)-2-(butylsulfonylamino)-4-methylsulfonyl-butanoic acid Openeye Name: azetidine-2-carboxylic acid; (2S)-2-(butylsulfonylamino)-4-methylsulfonyl-butanoic acid CAS Name: 2-azetidinecarboxylic acid; (2S)-2-(butylsulfonylamino)-4-methylsulfonylbutanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2S)-2-(butylsulfonylamino)-4-methylsulfonylbutanoic acid Traditional Name: azetidine-2-carboxylic acid; (2S)-2-(butylsulfonylamino)-4-mesyl-butyric acid Formula: C13H26N2O8S2 MolecularWeight: 402.48414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CCS(=O)(=O)C)C(=O)O.C1CNC1C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O.C1CNC1C(=O)O

InChI

InChI=1S/C9H19NO6S2.C4H7NO2/c1-3-4-6-18(15,16)10-8(9(11)12)5-7-17(2,13)14;6-4(7)3-1-2-5-3/h8,10H,3-7H2,1-2H3,(H,11,12);3,5H,1-2H2,(H,6,7)/t8-;/m0./s1