methyl (2R)-2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-11(2)8-15(17(20)21-5)18-16(19)10-22-14-7-6-12(3)13(4)9-14/h6-7,9,11,15H,8,10H2,1-5H3,(H,18,19)/t15-/m1/s1