XW1
Summary
| Name: | (2S)-2-amino-7-ethoxy-7-oxoheptanoic acid |
| Formula: | C9 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 203.236 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-7-ethoxy-7-oxoheptanoic acid |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-7-ethoxy-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)CCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | WDZFOWSMJZWELQ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)CCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CCOC(=O)CCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOC(=O)CCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCOC(=O)CCCCC(C(=O)O)N |
