| PDB CCD ID: | JD3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H14 N2 O2 |
| InChI: | InChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11+/m1/s1 |
| InChIKey: | CZSQAYAIWDEOSA-HQJQHLMTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(c1c[nH]c2c1cccc2)C(C(=O)O)N | | OpenEye OEToolkits 2.0.7 | C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N | | CACTVS 3.385 | C[C@@H]([C@H](N)C(O)=O)c1c[nH]c2ccccc12 | | CACTVS 3.385 | C[CH]([CH](N)C(O)=O)c1c[nH]c2ccccc12 |
|
| Name: | (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid |
| ZINC: | ZINC000001601575 |
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