SUI
Summary
| Name: | (3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID |
| Formula: | C6 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 172.139 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(3S)-3-amino-2,5-dioxo-pyrrolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(=O)CC1N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1CC(=O)N(CC(O)=O)C1=O |
| SMILES | CACTVS | 3.341 | N[CH]1CC(=O)N(CC(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](C(=O)N(C1=O)CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(=O)N(C1=O)CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | DXYLVSIXCGPUHP-VKHMYHEASA-N |
