8YC
Summary
| Name: | (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile |
| Formula: | C14 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},5~{R})-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+ |
| InChIKey | InChI | 1.03 | VZOVKVCGZDERPK-TXEJJXNPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1(CCCC1)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N |
| SMILES | CACTVS | 3.385 | OCC1(CCCC1)NCC(=O)N2[CH](CC[CH]2C#N)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N |
