| PDB CCD ID: | 2P6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H25 N3 O2 |
| InChI: | InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1 |
| InChIKey: | SPXFAUXQZWJGCJ-ROUUACIJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CCCC(=O)N2CCCC2C(=O)N3CCCC3C#N | | CACTVS 3.370 | O=C(CCCc1ccccc1)N2CCC[CH]2C(=O)N3CCC[CH]3C#N | | ACDLabs 12.01 | O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3 | | CACTVS 3.370 | O=C(CCCc1ccccc1)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N |
|
| Name: | (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile |
| ChEMBL: | CHEMBL189620 |
| ZINC: | ZINC000013584669 |
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