MCO
Summary
| Name: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID |
| Formula: | C9 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 217.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-D-proline |
| OpenEye OEToolkits | 1.5.0 | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1N(C(=O)C(C)CS)CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | FAKRSMQSSFJEIM-RNFRBKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CS)C(=O)N1CCC[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)N1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(CS)C(=O)N1CCCC1C(=O)O |
