(2-bromophenyl)methyl [4-[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]phenyl] carbonate

Systemtic Name: (2-bromophenyl)methyl [4-[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]phenyl] carbonate Openeye Name: (2-bromophenyl)methyl [4-[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-oxo-3-(4-pyridylmethylamino)propyl]phenyl] carbonate CAS Name: carbonic acid (2-bromophenyl)methyl [4-[(2S)-2-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-3-oxo-3-(pyridin-4-ylmethylamino)propyl]phenyl] ester IUPAC Name: (2-bromophenyl)methyl [4-[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-3-oxo-3-(pyridin-4-ylmethylamino)propyl]phenyl] carbonate Traditional Name: carbonic acid (2-bromobenzyl) [4-[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-keto-3-(4-pyridylmethylamino)propyl]phenyl] ester Formula: C36H43BrN4O7 MolecularWeight: 723.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C36H43BrN4O7/c1-36(2,3)48-34(44)40-22-25-8-12-27(13-9-25)32(42)41-31(33(43)39-21-26-16-18-38-19-17-26)20-24-10-14-29(15-11-24)47-35(45)46-23-28-6-4-5-7-30(28)37/h4-7,10-11,14-19,25,27,31H,8-9,12-13,20-23H2,1-3H3,(H,39,43)(H,40,44)(H,41,42)/t25?,27?,31-/m0/s1