Y19
Summary
| Name: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol |
| Formula: | C12 H20 N4 O7 |
| Formal charge: | 0 |
| Formula weight: | 332.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol |
| OpenEye OEToolkits | 1.5.0 | N-[(5S)-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-5H-pyrimidin-5-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N=C(NCC(O)C(O)C(O)CO)C1NC(=O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.341 | CCC(=O)N[CH]1C(=O)NC(=O)N=C1NC[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)NC1C(=O)NC(=O)N=C1NCC(C(C(CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H20N4O7/c1-2-7(20)14-8-10(15-12(23)16-11(8)22)13-3-5(18)9(21)6(19)4-17/h5-6,8-9,17-19,21H,2-4H2,1H3,(H,14,20)(H2,13,15,16,22,23)/t5-,6+,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | NPNFNBTUUJYCDD-FAYXRDSDSA-N |
