0LP
Summary
| Name: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid |
| Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid |
| Formula: | C20 H25 N O8 |
| Formal charge: | 0 |
| Formula weight: | 407.414 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-5-[(~{E})-3-phenylprop-2-enyl]-2-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]- 3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC1C(O)C(=C(OC1C(O)C(O)CO)C(O)=O)C[C@H]=Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C20H25NO8/c1-11(23)21-15-16(25)13(9-5-8-12-6-3-2-4-7-12)18(20(27)28)29-19(15)17(26)14(24)10-22/h2-8,14-17,19,22,24-26H,9-10H2,1H3,(H,21,23)(H,27,28)/b8-5+/t14-,15-,16+,17+,19-/m1/s1 |
| InChIKey | InChI | 1.03 | LRXKGKMIXXSWGY-KXNCHKOWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)C(=C(O[C@H]1[C@@H](O)[C@H](O)CO)C(O)=O)C/C=C/c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)CC=Cc2ccccc2)O |
