(2R)-2-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[2-(2-tert-butyl-4-methylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N[C@H](CCSC)C(=O)O)C(C)(C)C

InChI

InChI=1S/C18H27NO4S/c1-12-6-7-15(13(10-12)18(2,3)4)23-11-16(20)19-14(17(21)22)8-9-24-5/h6-7,10,14H,8-9,11H2,1-5H3,(H,19,20)(H,21,22)/t14-/m1/s1