azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(2-propylpentanoylamino)propanoic acid

Systemtic Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(2-propylpentanoylamino)propanoic acid Openeye Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(2-propylpentanoylamino)propanoic acid CAS Name: 2-azetidinecarboxylic acid; (2R)-3-methylsulfonyl-2-[(1-oxo-2-propylpentyl)amino]propanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-(2-propylpentanoylamino)propanoic acid Traditional Name: azetidine-2-carboxylic acid; (2R)-3-mesyl-2-(2-propylpentanoylamino)propionic acid Formula: C16H30N2O7S MolecularWeight: 394.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC(CS(=O)(=O)C)C(=O)O.C1CNC1C(=O)O

Isomeric SMILES

CCCC(CCC)C(=O)N[C@@H](CS(=O)(=O)C)C(=O)O.C1CNC1C(=O)O

InChI

InChI=1S/C12H23NO5S.C4H7NO2/c1-4-6-9(7-5-2)11(14)13-10(12(15)16)8-19(3,17)18;6-4(7)3-1-2-5-3/h9-10H,4-8H2,1-3H3,(H,13,14)(H,15,16);3,5H,1-2H2,(H,6,7)/t10-;/m0./s1