BQW
Summary
| Name: | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide |
| Formula: | C9 H17 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 259.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H17N5O2S/c1-4(12-8(10)11)7(16)14-9-13-6(3-17-9)5(2)15/h4,6,9,13H,3H2,1-2H3,(H,14,16)(H4,10,11,12)/t4-,6?,9?/m1/s1 |
| InChIKey | InChI | 1.03 | LAWADVQORXPDOH-VKJXWFFISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(N)=N)C(=O)N[C@@H]1N[C@@H](CS1)C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(N)=N)C(=O)N[CH]1N[CH](CS1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)NC1NC(CS1)C(=O)C)NC(=N)N |
