2-(2-ethylhexanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(2-ethylhexanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2-ethylhexanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(2-ethylhexanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(2-ethylhexanoylamino)-4-(methylthio)butyric acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H25NO3S/c1-4-6-7-10(5-2)12(15)14-11(13(16)17)8-9-18-3/h10-11H,4-9H2,1-3H3,(H,14,15)(H,16,17)