3-oxidanyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[2-(2-thienylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-(2-thenylthio)acetyl]amino]butyric acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CSCC1=CC=CS1)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CSCC1=CC=CS1)O

InChI

InChI=1S/C11H15NO4S2/c1-7(13)10(11(15)16)12-9(14)6-17-5-8-3-2-4-18-8/h2-4,7,10,13H,5-6H2,1H3,(H,12,14)(H,15,16)