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| Ligand Name: Taniborbactam |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1034 |
PubChem:
76902493
|
Synonym(s):
- vnrx-5133
- unii-8igq156z07
- 8igq156z07
- 1613267-49-4
- (3r)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
- (3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
- taniborbactam [inn]
- taniborbactam [usan]
- taniborbactam (usan/inn)
- vnrx5133
- chembl4463697
- chembl4584705
- chembl4594290
- schembl15778142
- schembl15778144
- schembl15779391
- gtpl10774
- who 10817
- hy-109124
- cs-0078360
- d11718
- (3r)-3-(((trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-2-hydroxy-3,4-dihydro-2h-1,2-benzoxaborinine-8-carboxylic acid
- (r)-3-(2-((1s,4r)-rel-4-((2-aminoethyl)amino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2h-benzo[e][1,2]oxaborinine-8-carboxylic acid
- (r)-3-(2-(trans-4-(2-aminoethylamino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2h-benzo[e][1,2]oxaborinine-8-carboxylic acid
- 2h-1,2-benzoxaborin-8-carboxylic acid, 3-((2-(trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-3,4-dihydro-2-hydroxy-, (3r)-
show 24 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4594290 |
| Canonical SMILES: NCCN[C@@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)CC1 |
| Standard InChI: InChI=1S/C19H28BN3O5/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)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14+,16-/m0/s1 |
| Molecular Formula: C19H28BN3O5 |
Mol. Weight: 389.2122 |
logP: 0.3214 |
| HBD: 5 | HBA: 6 |
| #Rotatable Bonds: 7 | TPSA: 133.91 |