CRX
Summary
| Name: | [2-(1-AMINOETHYL)-2-HYDROXY-4-METHYLENE-5-OXOIMIDAZOLIDIN-1-YL]ACETIC ACID |
| Synonyms: | CHROMOPHORE (ALA-SER-GLY) |
| Formula: | C8 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 215.207 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(2R)-2-[(1S)-1-aminoethyl]-2-hydroxy-4-methylidene-5-oxoimidazolidin-1-yl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(2R)-2-[(1S)-1-aminoethyl]-2-hydroxy-4-methylidene-5-oxo-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN1C(=O)/C(NC1(O)C(N)C)=C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@@]1(O)NC(=C)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)[C]1(O)NC(=C)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C1(NC(=C)C(=O)N1CC(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O4/c1-4-7(14)11(3-6(12)13)8(15,10-4)5(2)9/h5,10,15H,1,3,9H2,2H3,(H,12,13)/t5-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | KGHMLYAJQPCDLM-YLWLKBPMSA-N |
