LHC
Summary
| Name: | (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid |
| Formula: | C8 H12 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 212.206 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(4-amino-2-oxo-pyrimidin-1-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(C=CN1CCC(C(=O)O)N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCN1C=CC(=NC1=O)N)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCN1C=CC(=NC1=O)N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | FKWFMIJKLRYFAG-YFKPBYRVSA-N |
