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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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