NLK
Summary
| Name: | (2R,5S)-5-amino-2-butyl-4-oxononanoic acid |
| Formula: | C13 H25 N O3 |
| Formal charge: | 0 |
| Formula weight: | 243.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,5S)-5-amino-2-butyl-4-oxononanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,5S)-5-amino-2-butyl-4-oxo-nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CC(C(=O)O)CCCC)C(N)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@H](N)C(=O)C[C@@H](CCCC)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCC[CH](N)C(=O)C[CH](CCCC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(CC(=O)C(CCCC)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H25NO3/c1-3-5-7-10(13(16)17)9-12(15)11(14)8-6-4-2/h10-11H,3-9,14H2,1-2H3,(H,16,17)/t10-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | DFDJIMIRUIFCBE-MNOVXSKESA-N |
