T79
Summary
| Name: | (2S)-2-azanylhex-4-ynoic acid |
| Synonyms: | (S)-2-Aminohex-4-ynoic acid peptide staple |
| Formula: | C6 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 127.141 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanylhex-4-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | VDWGCMRALYSYJV-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC#CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC#CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC#CCC(C(=O)O)N |
