EEO
Summary
| Name: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid |
| Formula: | C11 H19 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 245.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | AKICLYTXRQJFDT-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CS)C(=O)N1CCCCCC1C(=O)O |
