| PDB CCD ID: | IBC |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C11 H14 N2 O4 |
| InChI: | InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1 |
| InChIKey: | HJEPOXZLPHUVFE-ZETCQYMHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[C@@H](CC1=CCCCc2onc(O)c12)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1CC=C(c2c(onc2O)C1)CC(C(=O)O)N | | OpenEye OEToolkits 1.5.0 | C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N | | CACTVS 3.341 | N[CH](CC1=CCCCc2onc(O)c12)C(O)=O | | ACDLabs 10.04 | O=C(O)C(N)CC2=CCCCc1onc(O)c12 |
|
| Name: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE;
2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID |
| ChEMBL: | CHEMBL28472 |
| DrugBank: | DB04152 |
| ZINC: | ZINC000013494065 |
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