3-heptan-4-ylsulfonyl-2-(2-methylsulfanylethanoylamino)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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