(2S,3S)-3-oxidanyl-2-(4-thiophen-2-ylbutanoylamino)butanoate

Systemtic Name: (2S,3S)-3-oxidanyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[4-(2-thienyl)butanoylamino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-(4-thiophen-2-ylbutanoylamino)butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[4-(2-thienyl)butanoylamino]butyrate Formula: C12H16NO4S- MolecularWeight: 270.32474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)CCCC1=CC=CS1)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)CCCC1=CC=CS1)O

InChI

InChI=1S/C12H17NO4S/c1-8(14)11(12(16)17)13-10(15)6-2-4-9-5-3-7-18-9/h3,5,7-8,11,14H,2,4,6H2,1H3,(H,13,15)(H,16,17)/p-1/t8-,11-/m0/s1