| PDB CCD ID: | LM0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H17 N3 O3 |
| InChI: | InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1 |
| InChIKey: | SATVLGDJXZFYJA-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C | | OpenEye OEToolkits 2.0.7 | CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C | | CACTVS 3.385 | CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O | | ACDLabs 12.01 | CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O | | CACTVS 3.385 | CC(=O)NNC(=O)[CH]1Cc2ccccc2CN1C(C)=O |
|
| Name: | (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
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