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

Systemtic Name: [(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H20BrN3O4S MolecularWeight: 418.306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)OC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C15H20BrN3O4S/c1-9(13(20)18-11-5-3-10(16)4-6-11)23-14(21)12(7-8-24-2)19-15(17)22/h3-6,9,12H,7-8H2,1-2H3,(H,18,20)(H3,17,19,22)/t9-,12-/m0/s1