1X6
Summary
| Name: | O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE |
| Formula: | C6 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.155 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-[(2E)-3-aminoprop-2-enoyl]-L-serine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-[(E)-3-azanylprop-2-enoyl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(C(=O)O)N)\C=C\N |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | XNIFBFLYOMFDJD-QPHDTYRISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N/C=C/C(=O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | NC=CC(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@@H](C(=O)O)N)OC(=O)/C=C/N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C(C(=O)O)N)OC(=O)C=CN |
