[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-[2,4-bis(bromanyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxidanyl-pent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-[2,4-bis(bromanyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxidanyl-pent-4-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R)-2-[2,4-dibromo-6-(tert-butoxycarbonylamino)phenyl]-2-hydroxy-pent-4-enoate CAS Name: (2R)-2-[2,4-dibromo-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-hydroxy-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-[2,4-dibromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-hydroxypent-4-enoate Traditional Name: (2R)-2-[2,4-dibromo-6-(tert-butoxycarbonylamino)phenyl]-2-hydroxy-pent-4-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C32H41Br2NO5 MolecularWeight: 679.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC=C)(C2=C(C=C(C=C2NC(=O)OC(C)(C)C)Br)Br)O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@](CC=C)(C2=C(C=C(C=C2NC(=O)OC(C)(C)C)Br)Br)O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C32H41Br2NO5/c1-8-16-32(38,27-24(34)18-22(33)19-25(27)35-29(37)40-30(3,4)5)28(36)39-26-17-20(2)14-15-23(26)31(6,7)21-12-10-9-11-13-21/h8-13,18-20,23,26,38H,1,14-17H2,2-7H3,(H,35,37)/t20-,23-,26-,32-/m1/s1