7C2
Summary
Name: | (6R)-1-aminoundecan-6-yl hydrogen carbonate |
Formula: | C12 H25 N O3 |
Formal charge: | 0 |
Formula weight: | 231.332 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (6R)-1-aminoundecan-6-yl hydrogen carbonate |
OpenEye OEToolkits | 2.0.6 | [(6~{R})-1-azanylundecan-6-yl] hydrogen carbonate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCCCC(CCCCCN)OC(O)=O |
InChI | InChI | 1.03 | InChI=1S/C12H25NO3/c1-2-3-5-8-11(16-12(14)15)9-6-4-7-10-13/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | BLHICXSRHDZESY-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](CCCCCN)OC(O)=O |
SMILES | CACTVS | 3.385 | CCCCC[CH](CCCCCN)OC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@H](CCCCCN)OC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(CCCCCN)OC(=O)O |