8RX
Summary
| Name: | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid |
| Formula: | C11 H17 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 239.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3OS/c1-2-3-4-6-13-10(15)9-5-7-14(8-9)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | FDJJUFUKBXRHKT-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SC(=N)N1CC[C@H](C1)C(=O)NCCCC#C |
| SMILES | CACTVS | 3.385 | SC(=N)N1CC[CH](C1)C(=O)NCCCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N1CC[C@H](C1)C(=O)NCCCC#C)\S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCCCNC(=O)C1CCN(C1)C(=N)S |
