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

Systemtic Name: [4-[(2S)-2-azanyl-3-oxidanylidene-3-(phenethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-oxo-3-(phenethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-oxo-3-(phenethylamino)propyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-oxo-3-(phenethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-keto-3-(phenethylamino)propyl]phenyl] (2-bromobenzyl) ester Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)N

InChI

InChI=1S/C25H25BrN2O4/c26-22-9-5-4-8-20(22)17-31-25(30)32-21-12-10-19(11-13-21)16-23(27)24(29)28-15-14-18-6-2-1-3-7-18/h1-13,23H,14-17,27H2,(H,28,29)/t23-/m0/s1