| PDB CCD ID: | 8RO |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C10 H15 N2 O6 P S |
| InChI: | InChI=1S/C10H15N2O6PS/c1-5-3-11(10(14)12-9(5)20-12)8-2-6(13)7(18-8)4-17-19(15)16/h6-8,13,15-16H,2-4H2,1H3/t6-,7+,8+,12?/m0/s1 |
| InChIKey: | GSELOCGYYRGWPL-AARIFPKGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC1=C2N(S2)C(=O)N(C1)C3CC(C(O3)COP(O)O)O | | OpenEye OEToolkits 2.0.6 | CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O | | CACTVS 3.385 | CC1=C2SN2C(=O)N(C1)[C@H]3C[C@H](O)[C@@H](COP(O)O)O3 | | CACTVS 3.385 | CC1=C2SN2C(=O)N(C1)[CH]3C[CH](O)[CH](COP(O)O)O3 |
|
| Name: | [(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
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