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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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