3FX
Summary
| Name: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid |
| Formula: | C9 H19 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 237.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid |
| OpenEye OEToolkits | 1.7.2 | (2R)-3-(cyclohexylamino)-2-oxidanyl-propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CC(O)CNC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | INEWUCPYEUEQTN-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](CNC1CCCCC1)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | O[CH](CNC1CCCCC1)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1CCC(CC1)NCC(CS(=O)(=O)O)O |
