[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

C[C@@H](C(=O)NCCOC)OC(=O)CCNC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H21BrN2O5/c1-11(15(21)19-9-10-23-2)24-14(20)7-8-18-16(22)12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,22)(H,19,21)/t11-/m0/s1