(2R)-2-[2-(2-tert-butyl-6-methyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[2-(2-tert-butyl-6-methyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[2-(2-tert-butyl-6-methyl-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[2-(2-tert-butyl-6-methylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[2-(2-tert-butyl-6-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[2-(2-tert-butyl-6-methyl-phenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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