| PDB CCD ID: | E9C |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H9 N O5 |
| InChI: | 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: | YEQCWDUWMMTDJJ-YVKXTFNSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O | | OpenEye OEToolkits 2.0.7 | C1C(=O)C(=CC(=O)C1=O)CC(C(=O)O)N | | OpenEye OEToolkits 2.0.7 | C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N | | CACTVS 3.385 | N[C@@H](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O |
|
| Name: | (2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid |
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