XAO
Summary
| Name: | CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE |
| Formula: | C14 H29 N O2 |
| Formal charge: | 0 |
| Formula weight: | 243.386 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S)-2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(CC(C)C)C(O)C(N)CC1CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](O)[CH](O)[CH](N)CC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(C(CC1CCCCC1)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | KGYZGGUJJIVOQX-MELADBBJSA-N |
