(2S)-2-[3-(3-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[3-(3-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[3-(3-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(3-methylphenoxy)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[3-(3-methylphenoxy)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(3-methylphenoxy)propanoylamino]-4-(methylthio)butyrate Formula: C15H20NO4S- MolecularWeight: 310.3886

Click to see the large picture

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)N[C@@H](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)/p-1/t13-/m0/s1