[(2R)-2-[[(2R,3R,4R)-1-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-pyrrolidin-2-yl]methylamino]-2-phenyl-ethyl] 4-bromanylbenzoate

Systemtic Name: [(2R)-2-[[(2R,3R,4R)-1-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-pyrrolidin-2-yl]methylamino]-2-phenyl-ethyl] 4-bromanylbenzoate Openeye Name: [(2R)-2-[[(2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxo-pyrrolidin-2-yl]methylamino]-2-phenyl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R)-2-[[(2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxo-2-pyrrolidinyl]methylamino]-2-phenylethyl] ester IUPAC Name: [(2R)-2-[[(2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyrrolidin-2-yl]methylamino]-2-phenylethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-keto-1-methyl-pyrrolidin-2-yl]methylamino]-2-phenyl-ethyl] ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C(C1=O)O)O)CNC(COC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](COC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O5/c1-24-17(18(25)19(26)20(24)27)11-23-16(13-5-3-2-4-6-13)12-29-21(28)14-7-9-15(22)10-8-14/h2-10,16-19,23,25-26H,11-12H2,1H3/t16-,17+,18+,19+/m0/s1