(2S)-4-methylsulfanyl-2-[2-(4-propylphenoxy)ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(4-propylphenoxy)ethanoylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(4-propylphenoxy)ethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[2-(4-propylphenoxy)acetyl]amino]butyric acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C16H23NO4S/c1-3-4-12-5-7-13(8-6-12)21-11-15(18)17-14(16(19)20)9-10-22-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1