[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(3-bromanylphenoxy)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(3-bromanylphenoxy)propanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(3-bromophenoxy)propanoate CAS Name: 3-(3-bromophenoxy)propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(3-bromophenoxy)propanoate Traditional Name: 3-(3-bromophenoxy)propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCOC1=CC(=CC=C1)Br

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H21BrN2O5/c1-10(2)18-16(22)19-15(21)11(3)24-14(20)7-8-23-13-6-4-5-12(17)9-13/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,21,22)/t11-/m0/s1