42Y
Summary
| Name: | O-propanoyl-L-serine |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-propanoyl-L-serine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-propanoyloxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(C(=O)O)N)CC |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | SOWJJKAOEWCCAX-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)OCC(C(=O)O)N |
