9R1
Summary
| Name: | (2S)-2-aminooctanedioic acid |
| Formula: | C8 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 189.209 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-aminooctanedioic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyloctanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCCCCC(O)=O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | YOFPFYYTUIARDI-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CC[C@@H](C(=O)O)N)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CCC(C(=O)O)N)CCC(=O)O |
