LNV
Summary
| Name: | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid |
| Synonyms: | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid Laninamivir |
| Formula: | C13 H22 N4 O7 |
| Formal charge: | 0 |
| Formula weight: | 346.336 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid |
| OpenEye OEToolkits | 1.7.2 | (2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-1-methoxy-2,3-bis(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxyli c acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | QNRRHYPPQFELSF-CNYIRLTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CO[CH]([CH](O)CO)[CH]1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC(=N)N |
