C0F
Summary
| Name: | (4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| Formula: | C12 H14 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 294.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | TXUPVLPPBPUFTK-CBAPKCEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccnc(c1)C2=N[C@@H](CS2)C(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1CC(C(=O)N)N)C2=NC(CS2)C(=O)O |
