[4-[(2S)-2-azanyl-3-(2-methylbutan-2-ylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate

Systemtic Name: [4-[(2S)-2-azanyl-3-(2-methylbutan-2-ylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-(1,1-dimethylpropylamino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-(2-methylbutan-2-ylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-(2-methylbutan-2-ylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-(tert-amylamino)-3-keto-propyl]phenyl] (2-bromobenzyl) ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2Br)N

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2Br)N

InChI

InChI=1S/C22H27BrN2O4/c1-4-22(2,3)25-20(26)19(24)13-15-9-11-17(12-10-15)29-21(27)28-14-16-7-5-6-8-18(16)23/h5-12,19H,4,13-14,24H2,1-3H3,(H,25,26)/t19-/m0/s1