X5P
Summary
| Name: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
| Formula: | C7 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 189.166 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | KAOMVEQNJVSESC-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)NC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)NC(=O)CCC(=O)O |
