OAS
Summary
Name: | O-ACETYLSERINE |
Formula: | C5 H9 N O4 |
Formal charge: | 0 |
Formula weight: | 147.129 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | O-acetyl-L-serine |
OpenEye OEToolkits | 1.5.0 | (2S)-3-acetyloxy-2-amino-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCC(N)C(=O)O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)OC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CC(=O)OC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)OC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)OCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | VZXPDPZARILFQX-BYPYZUCNSA-N |