methyl (2R)-2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22BrNO3S2 MolecularWeight: 420.38478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H22BrNO3S2/c1-10-8-14(11(2)7-12(10)17)23-9-15(19)18-13(5-6-22-4)16(20)21-3/h7-8,13H,5-6,9H2,1-4H3,(H,18,19)/t13-/m1/s1