1IC
Summary
| Name: | O-octanoyl-D-serine |
| Formula: | C11 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 231.289 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-octanoyl-D-serine |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-octanoyloxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(N)COC(=O)CCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | QQWGFKGHHSBYPK-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)OC[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OCC(C(=O)O)N |
