ST4
Summary
| Name: | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID |
| Formula: | C10 H14 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)-3-[(diaminomethyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-acetamido-3-(diaminomethylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(NC(N)N)c(cc1)NC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1NC(N)N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1NC(N)N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4,10,14H,11-12H2,1H3,(H,13,15)(H,16,17) |
| InChIKey | InChI | 1.03 | HIXHCUDMJUERSJ-UHFFFAOYSA-N |
