| PDB CCD ID: | GF1 |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C12 H15 N O4 |
| InChI: | InChI=1S/C12H15NO4/c1-5(12(16)17)13-10(14)8-6-2-3-7(4-6)9(8)11(13)15/h5-9H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,8-,9+/m0/s1 |
| InChIKey: | REFMTLIXGKZVDF-VRGHQRLXSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(O)C(N2C(=O)C3C1CCC(C1)C3C2=O)C | | OpenEye OEToolkits 1.5.0 | CC(C(=O)O)N1C(=O)C2C3CCC(C3)C2C1=O | | OpenEye OEToolkits 1.5.0 | C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O | | CACTVS 3.341 | C[CH](N1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O)C(O)=O | | CACTVS 3.341 | C[C@H](N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)C(O)=O |
|
| Name: | (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid |
| DrugBank: | DB07823 |
| ZINC: | ZINC000002317458 |
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