2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(2-methylphenoxy)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2-methylphenoxy)propanoylamino]-4-(methylthio)butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-11-5-3-4-6-13(11)20-9-7-14(17)16-12(15(18)19)8-10-21-2/h3-6,12H,7-10H2,1-2H3,(H,16,17)(H,18,19)