K9B
(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
Find entries where: K9B
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid |
Identifiers | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid |
Formula | C19 H29 B N3 O6 |
Molecular Weight | 406.261 |
Type | NON-POLYMER |
Isomeric SMILES | [B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O |
InChI | InChI=1S/C19H29BN3O6/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)29-20(16,27)28/h1-3,12,14,16,22,27-28H,4-11,21H2,(H,23,24)(H,25,26)/q-1/t12-,14-,16-/m0/s1 |
InChIKey | BZPCNLIYJBPHQK-NOLJZWGESA-N |
Chemical Details | |
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Formal Charge | -1 |
Atom Count | 58 |
Chiral Atom Count | 1 |
Bond Count | 60 |
Aromatic Bond Count | 6 |