GHS
Summary
| Name: | 6-carbamimidamidohexanoic acid |
| 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 | 6-carbamimidamidohexanoic acid |
| OpenEye OEToolkits | 1.7.6 | 6-carbamimidamidohexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCNC(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10) |
| InChIKey | InChI | 1.03 | NSDYIDKTTPXCRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)NCCCCCC(O)=O |
| SMILES | CACTVS | 3.370 | NC(=N)NCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\N)/NCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCC(=O)O)CCNC(=N)N |
