PKY
Summary
Name: | [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid |
Formula: | C10 H12 B N4 O6 P |
Formal charge: | 0 |
Formula weight: | 326.01 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H12BN4O6P/c12-10(16)8-3-1-2-7(4-8)9-5-15(14-13-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H2,12,16)(H2,18,19,20) |
InChIKey | InChI | 1.03 | FKHVACRDBKDASW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2 |
SMILES | CACTVS | 3.385 | NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O |