CHS
Summary
| Name: | 4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID |
| Formula: | C11 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 215.289 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-5-cyclohexyl-2,4,5-trideoxy-L-threo-pentonic acid |
| OpenEye OEToolkits | 1.5.0 | (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)C(N)CC1CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1CCCCC1)[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC1CCCCC1)[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CC(C(CC(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | UQWNNUPJBDWRHC-UWVGGRQHSA-N |
