| PDB CCD ID: | A1L2I |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H25 N O8 |
| InChI: | InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7+,8-,9-,10+,11+,12+,13-,14+/m1/s1 |
| InChIKey: | KFHKERRGDZTZQJ-SHCNSHNESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | CACTVS 3.385 | CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)OC)O)O)NC2C=C(C(C(C2O)O)O)CO | | OpenEye OEToolkits 2.0.7 | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO |
|
| Name: | Acarviosin;
(1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol |
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