UM1
Summary
| Name: | (2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid |
| Synonyms: | glycyl-D-alanyl-D-alanine |
| Formula: | C8 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 217.222 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | glycyl-D-alanyl-D-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)C)C(NC(=O)CN)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)[C@@H](C)NC(=O)CN)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)[CH](C)NC(=O)CN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)NC(C)C(=O)O)NC(=O)CN |
| InChI | InChI | 1.03 | InChI=1S/C8H15N3O4/c1-4(10-6(12)3-9)7(13)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | PYTZFYUXZZHOAD-RFZPGFLSSA-N |
