5OH
Summary
| Name: | (2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid |
| Formula: | C6 H12 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 188.184 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-2-[(4S,6R)-2-azanyl-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H]([C@H]1C[C@H](O)N=C(N)N1)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(NC(=NC1O)N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1 |
| InChIKey | InChI | 1.03 | JHJFDHNZNBHFJZ-UZBSEBFBSA-N |
