(2S)-4-methylsulfanyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(4-cumylphenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C22H27NO4S/c1-22(2,16-7-5-4-6-8-16)17-9-11-18(12-10-17)27-15-20(24)23-19(21(25)26)13-14-28-3/h4-12,19H,13-15H2,1-3H3,(H,23,24)(H,25,26)/t19-/m0/s1