38I

{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)


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Chemical Component Summary

Name{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
Identifiers[(5R)-5-azanyl-5-[(1R,5S)-8-[(3,4-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boranuide
FormulaC20 H30 B Cl2 N2 O5
Molecular Weight460.18
TypeNON-POLYMER
Isomeric SMILES[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O
InChIInChI=1S/C20H30BCl2N2O5/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28,29)30/h3,6,9,14-16,28-30H,1-2,4-5,7-8,10-12,24H2,(H,26,27)/q-1/t14-,15+,16-,20-/m1/s1
InChIKeyKCKQBVVBSIZAMB-UIVXKWKOSA-N

Chemical Details

Formal Charge-1
Atom Count60
Chiral Atom Count3
Bond Count62
Aromatic Bond Count6