| PDB CCD ID: | DV1 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C10 H16 N2 O4 S |
| InChI: | InChI=1S/C10H16N2O4S/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h2,5-9,13-15H,1,3-4H2,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1 |
| InChIKey: | RFYRJQYZBZAHNY-JGKVKWKGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O | | CACTVS 3.385 | OC[CH]1O[CH]2SC(=N[CH]2[CH](O)[CH]1O)NCC=C | | OpenEye OEToolkits 1.7.6 | C=CCNC1=NC2C(C(C(OC2S1)CO)O)O | | CACTVS 3.385 | OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)NCC=C |
|
| Name: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol;
Propyleneaminothiazoline |
| ZINC: | ZINC000117461554 |
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