CUD
Summary
| Name: | 3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine |
| Formula: | C7 H10 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 198.179 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(4-amino-2-oxo-pyrimidin-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(C=CN1CC(C(=O)O)N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](CN1C=CC(=NC1=O)N)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CN1C=CC(=NC1=O)N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N=C1N)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H10N4O3/c8-4(6(12)13)3-11-2-1-5(9)10-7(11)14/h1-2,4H,3,8H2,(H,12,13)(H2,9,10,14)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | XRUZZWBPZICCSB-SCSAIBSYSA-N |
