A1H0A
Summary
| Name: | 4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide |
| Formula: | C9 H20 B N2 O5 |
| Formal charge: | -1 |
| Formula weight: | 247.076 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | GEKJTUVCDKWVBP-VXNVDRBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CN[C@](CCCC[B-](O)(O)O)(C1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-](CCCC[C@@]1(C[C@H](CN1)N)C(=O)O)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-](CCCCC1(CC(CN1)N)C(=O)O)(O)(O)O |
