A1IFX
Summary
| Name: | [(4~{S},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron |
| Formula: | C7 H18 B N2 O5 |
| Formal charge: | -1 |
| Formula weight: | 221.039 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(4~{S},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H18BN2O5/c9-4-5(6(10)7(11)12)2-1-3-8(13,14)15/h5-6,13-15H,1-4,9-10H2,(H,11,12)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | YMMHYLNSFFXXCS-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](CCC[B](O)(O)O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NC[CH](CCC[B](O)(O)O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CCC[C@@H](CN)[C@@H](C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(CCCC(CN)C(C(=O)O)N)(O)(O)O |
