LH2
Summary
| Name: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide |
| Formula: | C16 H18 B N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 295.144 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18BN3O2/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14/h1-8,14,20-21H,9-10H2,(H3,18,19)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | GGBMYYYFHLXGRH-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(NC[C@@H]2Cc3ccccc3B(O)O2)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2CC(O1)CNc3ccc(cc3)C(=N)N)O |
