01N
Summary
| Name: | N-(carboxymethyl)-3-cyclohexyl-D-alanine |
| Formula: | C11 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 229.273 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(carboxymethyl)-3-cyclohexyl-D-alanine |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-(carboxymethylamino)-3-cyclohexyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NCC(=O)O)CC1CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CN[C@H](CC1CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)CN[CH](CC1CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CCC(CC1)CC(C(=O)O)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO4/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8/h8-9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | XVBUSFLUWMTOEE-SECBINFHSA-N |
