029
Summary
| Name: | cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid |
| Formula: | C9 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 199.25 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 4-(carbamimidamidomethyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCC(CNC(=[N@H])N)CC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)NC[C@@H]1CC[C@@H](CC1)C(O)=O |
| SMILES | CACTVS | 3.370 | NC(=N)NC[CH]1CC[CH](CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/NCC1CCC(CC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(CCC1CNC(=N)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17N3O2/c10-9(11)12-5-6-1-3-7(4-2-6)8(13)14/h6-7H,1-5H2,(H,13,14)(H4,10,11,12)/t6-,7+ |
| InChIKey | InChI | 1.03 | JBRMEFWJFBHUKG-KNVOCYPGSA-N |
