HE8
Summary
| Name: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide |
| Formula: | C8 H18 B N2 O5 |
| Formal charge: | -1 |
| Formula weight: | 233.05 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H18BN2O5/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14,15)16/h6,11,14-16H,1-5,10H2,(H,12,13)/q-1/t6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | JNNZQSJBRFVUJB-XPUUQOCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CNC[C@@H]1CCC[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(CNC[CH]1CCC[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | [B-](CCCC1CNCC1(C(=O)O)N)(O)(O)O |
