12L
Summary
| Name: | (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
| Formula: | C8 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 155.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (1S,4S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC2C1C2(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO2/c1-8(2)4-3-9-6(5(4)8)7(10)11/h4-6,9H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | SSKYNJZREFFALT-ZLUOBGJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)[C@H]2CN[C@@H]([C@@H]12)C(O)=O |
| SMILES | CACTVS | 3.370 | CC1(C)[CH]2CN[CH]([CH]12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C2C1C(NC2)C(=O)O)C |
