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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O4/c1-11(2)10-20-16(22)12(3)24-15(21)8-9-19-17(23)13-4-6-14(18)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H,19,23)(H,20,22)/t12-/m0/s1