4-methyl-2-(2-thiophen-2-ylsulfanylethanoylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(2-thiophen-2-ylsulfanylethanoylamino)pentanoic acid Openeye Name: 4-methyl-2-[[2-(2-thienylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(2-thienylthio)acetyl]amino]valeric acid Formula: C12H17NO3S2 MolecularWeight: 287.39828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=CS1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=CS1

InChI

InChI=1S/C12H17NO3S2/c1-8(2)6-9(12(15)16)13-10(14)7-18-11-4-3-5-17-11/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)(H,15,16)