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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(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] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(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)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4/c1-3-9-18-15(21)11(2)23-14(20)8-10-19-16(22)12-4-6-13(17)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)/t11-/m0/s1