VUV
Summary
| Name: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide |
| Formula: | C8 H17 B N O5 |
| Formal charge: | -1 |
| Formula weight: | 218.035 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {3-[(2S,3R)-2-carboxypyrrolidin-3-yl]propyl}(trihydroxido)borate(1-) |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCCC1CCC[B-](O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H17BNO5/c11-8(12)7-6(3-5-10-7)2-1-4-9(13,14)15/h6-7,10,13-15H,1-5H2,(H,11,12)/q-1/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | SKGPQQUJOITTRF-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1NCC[C@H]1CCC[B-](O)(O)O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1NCC[CH]1CCC[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-](CCCC1CCNC1C(=O)O)(O)(O)O |
