[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C(C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5/c1-9(2)18-16(24)20-13(21)8-25-15(23)10(3)19-14(22)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H2,18,20,21,24)/t10-/m0/s1