A1D5E
Summary
| Name: | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid |
| Synonyms: | 4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)- |
| Formula: | C8 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 217.222 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | JPXWXGCURGFPEP-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNC(=O)O[C@H]1CN[C@@H](C1)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H](CN[C@@H]1C(=O)O)OC(=O)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(CNC1C(=O)O)OC(=O)NCCN |
