[(2R,3S,4R,6S)-3,4,6-tris[(4-bromophenyl)carbonyloxy]-6-[2-[(S)-13-methylpentadecanoyloxy(1,3-oxazol-5-yl)methyl]-1,3-oxazol-4-yl]hexan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2R,3S,4R,6S)-3,4,6-tris[(4-bromophenyl)carbonyloxy]-6-[2-[(S)-13-methylpentadecanoyloxy(1,3-oxazol-5-yl)methyl]-1,3-oxazol-4-yl]hexan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R,2S,3R,5S)-2,3,5-tris[(4-bromobenzoyl)oxy]-1-methyl-5-[2-[(S)-13-methylpentadecanoyloxy(oxazol-5-yl)methyl]oxazol-4-yl]pentyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R,3S,4R,6S)-3,4,6-tris[(4-bromophenyl)-oxomethoxy]-6-[2-[(S)-(13-methyl-1-oxopentadecoxy)-(5-oxazolyl)methyl]-4-oxazolyl]hexan-2-yl] ester IUPAC Name: [(2R,3S,4R,6S)-3,4,6-tris[(4-bromobenzoyl)oxy]-6-[2-[(S)-13-methylpentadecanoyloxy(1,3-oxazol-5-yl)methyl]-1,3-oxazol-4-yl]hexan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,2S,3R,5S)-2,3,5-tris[(4-bromobenzoyl)oxy]-1-methyl-5-[2-[(S)-13-methylpentadecanoyloxy(oxazol-5-yl)methyl]oxazol-4-yl]pentyl] ester Formula: C57H60Br4N2O12 MolecularWeight: 1284.7085

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCCCCCC(=O)OC(C1=CN=CO1)C2=NC(=CO2)C(CC(C(C(C)OC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC(=O)C5=CC=C(C=C5)Br)OC(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

CCC(C)CCCCCCCCCCCC(=O)O[C@@H](C1=CN=CO1)C2=NC(=CO2)[C@H](C[C@H]([C@H]([C@@H](C)OC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC(=O)C5=CC=C(C=C5)Br)OC(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C57H60Br4N2O12/c1-4-36(2)14-12-10-8-6-5-7-9-11-13-15-50(64)74-52(49-33-62-35-70-49)53-63-46(34-69-53)47(72-55(66)39-18-26-43(59)27-19-39)32-48(73-56(67)40-20-28-44(60)29-21-40)51(75-57(68)41-22-30-45(61)31-23-41)37(3)71-54(65)38-16-24-42(58)25-17-38/h16-31,33-37,47-48,51-52H,4-15,32H2,1-3H3/t36?,37-,47+,48-,51+,52+/m1/s1