YWG
Summary
| Name: | N-[(4S)-4-amino-5-oxohexyl]urea |
| Formula: | C7 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 173.213 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4S)-4-amino-5-oxohexyl]urea |
| OpenEye OEToolkits | 2.0.7 | 1-[(4~{S})-4-azanyl-5-oxidanylidene-hexyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)NCCCC(N)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O2/c1-5(11)6(8)3-2-4-10-7(9)12/h6H,2-4,8H2,1H3,(H3,9,10,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | QCONBSSERWFISK-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@@H](N)CCCNC(N)=O |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](N)CCCNC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)[C@H](CCCNC(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(CCCNC(=O)N)N |
