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

Systemtic Name: azetidine-2-carboxylic acid; (2S)-4-methylsulfonyl-2-(2-propylpentanoylamino)butanoic acid Openeye Name: azetidine-2-carboxylic acid; (2S)-4-methylsulfonyl-2-(2-propylpentanoylamino)butanoic acid CAS Name: 2-azetidinecarboxylic acid; (2S)-4-methylsulfonyl-2-[(1-oxo-2-propylpentyl)amino]butanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2S)-4-methylsulfonyl-2-(2-propylpentanoylamino)butanoic acid Traditional Name: azetidine-2-carboxylic acid; (2S)-4-mesyl-2-(2-propylpentanoylamino)butyric acid Formula: C17H32N2O7S MolecularWeight: 408.51018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO5S.C4H7NO2/c1-4-6-10(7-5-2)12(15)14-11(13(16)17)8-9-20(3,18)19;6-4(7)3-1-2-5-3/h10-11H,4-9H2,1-3H3,(H,14,15)(H,16,17);3,5H,1-2H2,(H,6,7)/t11-;/m0./s1