2VA
Summary
| Name: | 2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE |
| Formula: | C15 H23 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 365.388 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-2'-(L-valylamino)adenosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC3C(O)C(OC3n2cnc1c(ncnc12)N)CO)C(N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](N)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.341 | CC(C)[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-11(24)7(3-23)26-15(9)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8+,9-,11-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | UPIKYXOKKJTWAH-QNNFVPKKSA-N |
