E9C
Summary
| Name: | (2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid |
| Formula: | C9 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 211.171 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2,5H,1,3,10H2,(H,14,15)/t5-/m0/s1/i3D2 |
| InChIKey | InChI | 1.03 | YEQCWDUWMMTDJJ-YVKXTFNSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(=O)C(=CC(=O)C1=O)CC(C(=O)O)N |
