3AL
Summary
| Name: | 1-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]UREA |
| Synonyms: | (S)-ALLANTOIN |
| Formula: | C4 H6 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 158.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(4S)-2,5-dioxoimidazolidin-4-yl]urea |
| OpenEye OEToolkits | 1.5.0 | [(4S)-2,5-dioxoimidazolidin-4-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(=O)NC(=O)N1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)N[C@H]1NC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | NC(=O)N[CH]1NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H]1(C(=O)NC(=O)N1)NC(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(=O)NC(=O)N1)NC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1 |
| InChIKey | InChI | 1.03 | POJWUDADGALRAB-SFOWXEAESA-N |
