| PDB CCD ID: | AIA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H23 N3 O |
| InChI: | InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1 |
| InChIKey: | XYVMJMYCUZCIPB-AVGNSLFASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C#CC1CCC(N1C(=O)C(C2CCCC2)N)CN | | CACTVS 3.341 | NC[C@@H]1CC[C@H](C#C)N1C(=O)[C@@H](N)C2CCCC2 | | CACTVS 3.341 | NC[CH]1CC[CH](C#C)N1C(=O)[CH](N)C2CCCC2 | | OpenEye OEToolkits 1.5.0 | C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN | | ACDLabs 10.04 | O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2 |
|
| Name: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE |
| DrugBank: | DB07356 |
| ZINC: | ZINC000036470911 |
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