ZS8
Summary
| Name: | (2S)-2-amino-2-methyldec-8-ynoic acid |
| Formula: | C11 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-2-methyldec-8-ynoic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-2-methyl-dec-8-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)(C)CCCCCC#CC |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | IEDCXEQAWYUWSL-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#CCCCCC[C@](C)(N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC#CCCCCC[C](C)(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC#CCCCCC[C@@](C)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC#CCCCCCC(C)(C(=O)O)N |
