PQG
Summary
| Name: | cis-1-amino-4-phenylcyclohexane-1-carboxylic acid |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | cis-1-amino-4-phenylcyclohexane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-azanyl-4-phenyl-cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccccc1)C2CCC(N)(C(O)=O)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+ |
| InChIKey | InChI | 1.03 | TWAYLYPZRSXEOS-BJHJDKERSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CC[C@H](CC1)c2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(CC[CH](CC1)c2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCC(CC2)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCC(CC2)(C(=O)O)N |
