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Summary
| Name: | (2S)-2-amino-7-methoxy-7-oxoheptanoic 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-amino-7-methoxy-7-oxoheptanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-7-methoxy-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)CCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO4/c1-13-7(10)5-3-2-4-6(9)8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | JDVRHBSRVFYFOR-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)CCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | COC(=O)CCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)CCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)CCCCC(C(=O)O)N |
