[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-bromophenyl)methylthio]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-bromobenzyl)thio]propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C(C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@H](C)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H21BrN2O4S/c1-3-8-18-16(22)19-14(20)9-23-15(21)11(2)24-10-12-4-6-13(17)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,18,19,20,22)/t11-/m0/s1