[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C17H21BrN2O5/c1-3-11(2)19-17(24)20-15(22)10-25-16(23)9-8-14(21)12-4-6-13(18)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,19,20,22,24)/t11-/m0/s1