GUS
Summary
| Name: | (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine |
| Synonyms: | m-guanidinosalicylidene-L-alanine |
| Formula: | C11 H14 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 250.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)O)N=Cc1cc(ccc1O)NC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C11H14N4O3/c1-6(10(17)18)14-5-7-4-8(15-11(12)13)2-3-9(7)16/h2-6,16H,1H3,(H,17,18)(H4,12,13,15)/b14-5+/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | XIDJFBOMDZEVTM-JHKKWMAKSA-N |
