VH0
Summary
| Name: | (2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid |
| Formula: | C8 H13 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 211.221 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-L-proline |
| OpenEye OEToolkits | 1.9.2 | (2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2NCC(n1nnc(c1)CN)C2 |
| InChI | InChI | 1.03 | InChI=1S/C8H13N5O2/c9-2-5-4-13(12-11-5)6-1-7(8(14)15)10-3-6/h4,6-7,10H,1-3,9H2,(H,14,15)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | JFEVBUPMGGCXQM-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cn(nn1)[C@@H]2CN[C@@H](C2)C(O)=O |
| SMILES | CACTVS | 3.385 | NCc1cn(nn1)[CH]2CN[CH](C2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(nnn1C2CC(NC2)C(=O)O)CN |
