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

Systemtic Name: [4-[(2S)-2-azanyl-3-(3-methylbutylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-(isopentylamino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-(3-methylbutylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-(3-methylbutylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-(isoamylamino)-3-keto-propyl]phenyl] (2-bromobenzyl) ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-15(2)11-12-25-21(26)20(24)13-16-7-9-18(10-8-16)29-22(27)28-14-17-5-3-4-6-19(17)23/h3-10,15,20H,11-14,24H2,1-2H3,(H,25,26)/t20-/m0/s1