| PDB CCD ID: | A1AHC |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C12 H16 N2 O7 |
| InChI: | InChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10+,11-,12+/m1/s1 |
| InChIKey: | ZRNBGANFPXCMFT-ZIQFBCGOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N | | CACTVS 3.385 | N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccc(cc2)[N+]([O-])=O | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N | | CACTVS 3.385 | N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O | | ACDLabs 12.01 | [O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(O)C(O)C1N |
|
| Name: | 4-nitrophenyl 2-amino-2-deoxy-alpha-D-galactopyranoside |
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