2-azanyl-3-heptan-4-ylsulfonyl-N-(2-methylsulfanylethanoyl)propanamide

Systemtic Name: 2-azanyl-3-heptan-4-ylsulfonyl-N-(2-methylsulfanylethanoyl)propanamide Openeye Name: 2-amino-N-(2-methylsulfanylacetyl)-3-(1-propylbutylsulfonyl)propanamide CAS Name: 2-amino-3-heptan-4-ylsulfonyl-N-[2-(methylthio)-1-oxoethyl]propanamide IUPAC Name: 2-amino-3-heptan-4-ylsulfonyl-N-(2-methylsulfanylacetyl)propanamide Traditional Name: 2-amino-N-[2-(methylthio)acetyl]-3-(1-propylbutylsulfonyl)propionamide Formula: C13H26N2O4S2 MolecularWeight: 338.48654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)CSC)N

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)CSC)N

InChI

InChI=1S/C13H26N2O4S2/c1-4-6-10(7-5-2)21(18,19)9-11(14)13(17)15-12(16)8-20-3/h10-11H,4-9,14H2,1-3H3,(H,15,16,17)