3U0
Summary
| Name: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid |
| Synonyms: | 2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid |
| Formula: | C10 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 207.229 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) |
| InChIKey | InChI | 1.06 | VRFIQGHKZCJHDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCc1ccc(CC(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)NCc1ccc(CC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\N)/NCc1ccc(cc1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CC(=O)O)CNC(=N)N |
