(2R)-2-[2-(2,5-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[2-(2,5-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-10-4-5-11(2)13(8-10)20-9-14(17)16-12(15(18)19)6-7-21-3/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1