G2B
Summary
| Name: | 1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea |
| Formula: | C5 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 147.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H13N3O2/c1-3(9)4(6)2-8-5(7)10/h3-4,9H,2,6H2,1H3,(H3,7,8,10)/t3-,4+/m0/s1 |
| InChIKey | InChI | 1.03 | DMDDGYOTJFLDRR-IUYQGCFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@H](N)CNC(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)CNC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]([C@@H](CNC(=O)N)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(CNC(=O)N)N)O |
