[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(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] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(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)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5/c1-10(2)19-16(24)20-13(21)9-25-14(22)7-8-18-15(23)11-3-5-12(17)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H2,19,20,21,24)