[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-bromophenyl)methylthio]propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-bromobenzyl)thio]propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C(C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4S/c1-9(2)13(14(20)19-16(18)22)23-15(21)10(3)24-8-11-4-6-12(17)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H3,18,19,20,22)/t10-,13+/m0/s1