MSC

2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE


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Chemical Component Summary

Name2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE
SynonymsINHIBITOR MSL370
Identifiers(2R,3R,4R,5R)-N-[(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(phenylmethoxy)hexanediamide
FormulaC36 H36 Cl F N2 O7
Molecular Weight663.132
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F
InChIInChI=1S/C36H36ClFN2O7/c37-27-16-9-17-28(38)26(27)19-39-35(44)33(46-20-22-10-3-1-4-11-22)31(42)32(43)34(47-21-23-12-5-2-6-13-23)36(45)40-30-25-15-8-7-14-24(25)18-29(30)41/h1-17,29-34,41-43H,18-21H2,(H,39,44)(H,40,45)/t29-,30+,31-,32-,33-,34-/m1/s1
InChIKeyBVPTXJDSYPTXMO-VQEIZDKSSA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count6
Bond Count87
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 444975