4N8
Summary
| Name: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline |
| Formula: | C11 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 254.305 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline |
| OpenEye OEToolkits | 1.9.2 | (2S)-1-(furan-2-ylmethylcarbamothioyl)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C1N(CCC1)C(=S)NCc2occc2)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O3S/c14-10(15)9-4-1-5-13(9)11(17)12-7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,12,17)(H,14,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | MEWFQTNZRMRRLT-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCN1C(=S)NCc2occc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN1C(=S)NCc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(oc1)CNC(=S)N2CCCC2C(=O)O |
