(2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid hydrate

Systemtic Name: (2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid hydrate Openeye Name: (2S)-1-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid hydrate CAS Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid hydrate IUPAC Name: (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid hydrate Traditional Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-propanoyl]proline hydrate Formula: C11H19NO5S MolecularWeight: 277.33726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)O.O

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O.O

InChI

InChI=1S/C11H17NO4S.H2O/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16;/h7,9H,3-6H2,1-2H3,(H,15,16);1H2/t7-,9+;/m1./s1