HDQ
Summary
| Name: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide |
| Formula: | C14 H29 B N3 O5 |
| Formal charge: | -1 |
| Formula weight: | 330.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H29BN3O5/c16-14(13(19)20)10-18(9-12-5-1-2-7-17-12)8-11(14)4-3-6-15(21,22)23/h11-12,17,21-23H,1-10,16H2,(H,19,20)/q-1/t11-,12-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | UAQSNVVPOJZDTG-OBJOEFQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CN(C[C@@H]2CCCCN2)C[C@@H]1CCC[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(CN(C[CH]2CCCCN2)C[CH]1CCC[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | [B-](CCCC1CN(CC1(C(=O)O)N)CC2CCCCN2)(O)(O)O |
