VDK
Summary
| Name: | [(1S,3S)-3-carboxycyclohexyl]azanium |
| Formula: | C7 H14 N O2 |
| Formal charge: | 1 |
| Formula weight: | 144.192 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S},3~{S})-3-carboxycyclohexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | CKTUXQBZPWBFDX-WDSKDSINSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+][C@H]1CCC[C@@H](C1)C(O)=O |
| SMILES | CACTVS | 3.385 | [NH3+][CH]1CCC[CH](C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(CC(C1)[NH3+])C(=O)O |
