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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-[(4-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]propionic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4/c1-4-9-18-14(20)11(3)23-16(22)10(2)19-15(21)12-5-7-13(17)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,18,20)(H,19,21)/t10-,11-/m0/s1