C99
Summary
| Name: | {(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-1-YL}ACETIC ACID |
| Synonyms: | CHROMOPHORE (THR-PHE-GLY) |
| Formula: | C8 H13 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 247.205 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(2R)-2-[(1S,2R)-1-amino-2-hydroxy-propyl]-2-hydroxy-4,5-dioxo-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN1C(=O)C(=O)NC1(O)C(N)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@H](N)[C@@]1(O)NC(=O)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](N)[C]1(O)NC(=O)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C1(NC(=O)C(=O)N1CC(=O)O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O6/c1-3(12)5(9)8(17)10-6(15)7(16)11(8)2-4(13)14/h3,5,12,17H,2,9H2,1H3,(H,10,15)(H,13,14)/t3-,5+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | QYFXMTPKEZLAPH-UWBRJAPDSA-N |
