108
Summary
| Name: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID |
| Formula: | C11 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 237.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(5-carbamimidoyl-2-hydroxybenzyl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[(5-carbamimidoyl-2-hydroxy-phenyl)methylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NCc1cc(ccc1O)C(=[N@H])N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NCc1cc(ccc1O)C(N)=N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NCc1cc(ccc1O)C(N)=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NCc1cc(ccc1O)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15N3O3/c1-6(11(16)17)14-5-8-4-7(10(12)13)2-3-9(8)15/h2-4,6,14-15H,5H2,1H3,(H3,12,13)(H,16,17)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | CUGPJCUEKAARCR-LURJTMIESA-N |
