Summary
| Name: | BETA-CYCLOHEXYL-ALANINE |
| Formula: | C9 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 171.237 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-cyclohexyl-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-cyclohexyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC1CCCCC1 |
| InChI | InChI | 1.02b | InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1/f/h11H |
| InChIKey | InChI | 1.02b | ORQXBVXKBGUSBA-KMJKUPBBDZ |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC1CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CC(C(=O)O)N |
