T0I
Summary
| Name: | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid |
| Formula: | C12 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 263.249 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cn(cn1)c2cc(c(cc2O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | DUYCPVVOPMGSFC-QMMMGPOBSA-N |
