A3S
Summary
| Name: | SERINE-3'-AMINOADENOSINE |
| Synonyms: | N'-L-SERYL-3'-AMINO-(3'-DEOXY)-ADENOSINE |
| Formula: | C13 H19 N7 O5 |
| Formal charge: | 0 |
| Formula weight: | 353.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-deoxy-3'-(L-serylamino)adenosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-hydroxy-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CO)C(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | N[CH](CO)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(CO)N)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1 |
| InChIKey | InChI | 1.03 | ITDKSTILAWHDJI-AYEBZEFBSA-N |
