A1D0T
Summary
| Name: | (1R,2S)-2-(2-hydroxy-4,5-dimethylbenzamido)cyclopentane-1-carboxylic acid |
| Formula: | C15 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 277.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R,2S)-2-(2-hydroxy-4,5-dimethylbenzamido)cyclopentane-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R},2~{S})-2-[(4,5-dimethyl-2-oxidanyl-phenyl)carbonylamino]cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC1CCCC1C(=O)O)c1cc(C)c(C)cc1O |
| InChI | InChI | 1.06 | InChI=1S/C15H19NO4/c1-8-6-11(13(17)7-9(8)2)14(18)16-12-5-3-4-10(12)15(19)20/h6-7,10,12,17H,3-5H2,1-2H3,(H,16,18)(H,19,20)/t10-,12+/m1/s1 |
| InChIKey | InChI | 1.06 | FZMQYBONGOGPKU-PWSUYJOCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)c(cc1C)C(=O)N[C@H]2CCC[C@H]2C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(O)c(cc1C)C(=O)N[CH]2CCC[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(cc1C)O)C(=O)N[C@H]2CCC[C@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(cc1C)O)C(=O)NC2CCCC2C(=O)O |
