[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O4S/c1-9(13(19)10-3-5-11(16)6-4-10)22-14(20)12(7-8-23-2)18-15(17)21/h3-6,9,12H,7-8H2,1-2H3,(H3,17,18,21)/t9-,12+/m1/s1