PDB CCD ID: | F9B |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H21 N O4 |
InChI: | InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1 |
InChIKey: | KRBDCALBFRZJTM-AWEZNQCLSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O | CACTVS 3.385 | OCC(CO)NC[CH](O)COc1cccc2ccccc12 | CACTVS 3.385 | OCC(CO)NC[C@H](O)COc1cccc2ccccc12 | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)cccc2OCC(CNC(CO)CO)O |
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Name: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol |