WCR
Summary
| Name: | [(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid |
| Formula: | C13 H15 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 293.275 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid |
| OpenEye OEToolkits | 1.7.2 | 2-[(2R,4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-2-oxidanyl-5-oxidanylidene-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN1C(=O)/C(NC1(O)CN)=C/c2ccc(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O5/c14-7-13(21)15-10(12(20)16(13)6-11(18)19)5-8-1-3-9(17)4-2-8/h1-5,15,17,21H,6-7,14H2,(H,18,19)/b10-5-/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | UQGMLEZTYYSNFC-OMPYUXFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC[C@@]1(O)NC(=C\c2ccc(O)cc2)/C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.370 | NC[C]1(O)NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C=C2C(=O)N(C(N2)(CN)O)CC(=O)O)O |
