D8R
Summary
| Name: | (2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid |
| Formula: | C9 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | TVFTZQHBUQYHFH-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)C(=O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)C(=O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)NCCCC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NCCCCC(C(=O)O)N)O |
