PLF
Summary
| Name: | 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID |
| Formula: | C9 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 210.233 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[4-[(2S)-pyrrolidin-2-yl]-1,2,3-triazol-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(n1nnc(c1)C2NCCC2)C |
| InChI | InChI | 1.03 | InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | QCMZXGNUTSEEHK-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](n1cc(nn1)[C@@H]2CCCN2)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](n1cc(nn1)[CH]2CCCN2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)n1cc(nn1)C2CCCN2 |
