V3E
Summary
| Name: | methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO3/c1-14-10(13)8(11)6-7-4-2-3-5-9(7)12/h2-5,8,12H,6,11H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | RFUHEJIZWPQATB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)Cc1ccccc1O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)Cc1ccccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H](Cc1ccccc1O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C(Cc1ccccc1O)N |
