K9K
(10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
Find entries where: K9K
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide |
Identifiers | (7~{R})-5-[[4-(2-azanylethylamino)cyclohexyl]methyl]-3-oxidanyl-2,4-dioxa-6-aza-3-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraene-13-carboxylic acid |
Formula | C19 H27 B N3 O5 |
Molecular Weight | 388.246 |
Type | NON-POLYMER |
Isomeric SMILES | [B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O |
InChI | InChI=1S/C19H27BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17-23-16-11-13-2-1-3-15(19(24)25)18(13)28-20(16,26)27-17/h1-3,12,14,16,22,26H,4-11,21H2,(H,24,25)/q-1/t12-,14-,16-,20-/m0/s1 |
InChIKey | SXCHFKLXJGSRKQ-DXJCSPRDSA-N |
Chemical Details | |
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Formal Charge | -1 |
Atom Count | 55 |
Chiral Atom Count | 1 |
Bond Count | 58 |
Aromatic Bond Count | 6 |