432
Summary
| Name: | O-butanoyl-L-serine |
| Formula: | C7 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 175.182 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-butanoyl-L-serine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-butanoyloxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(C(=O)O)N)CCC |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | HTDGDRZVMBNEMO-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCC(=O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC(=O)OCC(C(=O)O)N |
