methyl (2R)-2-[2-[2-(2,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[2-(2,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[2-(2,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[2-[(2,4-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[2-(2,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[2-[(2,4-dimethylphenyl)thio]acetyl]oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC(CC(C)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO5S/c1-12(2)8-15(19(23)24-5)20-17(21)10-25-18(22)11-26-16-7-6-13(3)9-14(16)4/h6-7,9,12,15H,8,10-11H2,1-5H3,(H,20,21)/t15-/m1/s1