[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-4-(methylthio)butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2R)-2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-4-(methylthio)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30BrNO4S/c1-31-7-6-20(22(28)30-14-21(27)18-2-4-19(25)5-3-18)26-23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17,20H,6-14H2,1H3,(H,26,29)/t15?,16?,17?,20-,24?/m1/s1