2-[2-(ethylsulfanylmethyl)hexanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(ethylsulfanylmethyl)hexanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-(ethylsulfanylmethyl)hexanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(ethylthio)methyl]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-(ethylsulfanylmethyl)hexanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[(ethylthio)methyl]hexanoylamino]-3-methyl-butyric acid Formula: C14H27NO3S MolecularWeight: 289.43408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CSCC)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCC(CSCC)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C14H27NO3S/c1-5-7-8-11(9-19-6-2)13(16)15-12(10(3)4)14(17)18/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18)