1L1
Summary
| Name: | 3-cyclohexyl-N-sulfamoyl-D-alanine |
| Formula: | C9 H18 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 250.315 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-cyclohexyl-N-sulfamoyl-D-alanine |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-cyclohexyl-2-(sulfamoylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NS(=O)(=O)N)CC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,12,13)(H2,10,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | LHUDYJGZVNZVTM-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)N[C@H](CC1CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)N[CH](CC1CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CC(C(=O)O)NS(=O)(=O)N |
