YT4
Summary
| Name: | methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate |
| Formula: | C12 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 269.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{R})-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO4S/c1-16-11(14)10(8-18)13-12(15)17-7-9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3,(H,13,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | FEADQZMKQOMOMD-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](CS)NC(=O)OCc1ccccc1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](CS)NC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)[C@H](CS)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(CS)NC(=O)OCc1ccccc1 |
