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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]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-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5/c1-8(2)12(14(22)20-16(18)24)25-15(23)9(3)19-13(21)10-4-6-11(17)7-5-10/h4-9,12H,1-3H3,(H,19,21)(H3,18,20,22,24)/t9-,12+/m0/s1