1X0
Summary
| Name: | (2S)-2-aminooct-7-enoic acid |
| Formula: | C8 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 157.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-aminooct-7-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyloct-7-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCC/C=C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | VXVRWMRIUKRFMP-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCC=C)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCC=C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CCCCCC(C(=O)O)N |
