[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrN2O4/c1-2-17(20(26)22-12-14-6-4-3-5-7-14)27-18(24)13-23-19(25)15-8-10-16(21)11-9-15/h3-11,17H,2,12-13H2,1H3,(H,22,26)(H,23,25)/t17-/m0/s1