(2S)-azetidine-2-carboxylic acid; tert-butyl ethanoate; (2R)-3-oxidanyl-3-oxidanylidene-2-(2-propylpentanoylamino)propane-1-sulfinate

Systemtic Name: (2S)-azetidine-2-carboxylic acid; tert-butyl ethanoate; (2R)-3-oxidanyl-3-oxidanylidene-2-(2-propylpentanoylamino)propane-1-sulfinate Openeye Name: (2S)-azetidine-2-carboxylic acid; tert-butyl acetate; (2R)-3-hydroxy-3-oxo-2-(2-propylpentanoylamino)propane-1-sulfinate CAS Name: acetic acid tert-butyl ester; (2S)-2-azetidinecarboxylic acid; (2R)-3-hydroxy-3-oxo-2-[(1-oxo-2-propylpentyl)amino]-1-propanesulfinate IUPAC Name: (2S)-azetidine-2-carboxylic acid; tert-butyl acetate; (2R)-3-hydroxy-3-oxo-2-(2-propylpentanoylamino)propane-1-sulfinate Traditional Name: acetic acid tert-butyl ester; (2S)-azetidine-2-carboxylic acid; (2R)-3-hydroxy-3-keto-2-(2-propylpentanoylamino)propane-1-sulfinate Formula: C21H39N2O9S- MolecularWeight: 495.60736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC(CS(=O)[O-])C(=O)O.CC(=O)OC(C)(C)C.C1CNC1C(=O)O

Isomeric SMILES

CCCC(CCC)C(=O)N[C@@H](CS(=O)[O-])C(=O)O.CC(=O)OC(C)(C)C.C1CN[C@@H]1C(=O)O

InChI

InChI=1S/C11H21NO5S.C6H12O2.C4H7NO2/c1-3-5-8(6-4-2)10(13)12-9(11(14)15)7-18(16)17;1-5(7)8-6(2,3)4;6-4(7)3-1-2-5-3/h8-9H,3-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17);1-4H3;3,5H,1-2H2,(H,6,7)/p-1/t9-;;3-/m0.0/s1