84J

[(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid


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Chemical Component Summary

Name[(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid
Identifiers[(~{R})-[2,3-bis(oxidanyl)quinoxalin-5-yl]-[[(1~{S})-1-(4-bromophenyl)ethyl]amino]methyl]phosphonic acid
FormulaC17 H17 Br N3 O5 P
Molecular Weight454.212
TypeNON-POLYMER
Isomeric SMILESC[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O
InChIInChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17+/m0/s1
InChIKeyXXZGNAZRWCBSBK-HUTHGQBESA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count46
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 16040162