PDB CCD ID: | GB1 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H20 N2 O3 |
InChI: | InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1 |
InChIKey: | OGMKEJTXCCFISS-MROQNXINSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | OC1C(NCC1O)CNC(c2ccccc2)CO | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(CO)NCC2C(C(CN2)O)O | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O | CACTVS 3.341 | OC[CH](NC[CH]1NC[CH](O)[CH]1O)c2ccccc2 | CACTVS 3.341 | OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c2ccccc2 |
|
Name: | (2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL |
ChEMBL: | CHEMBL425723 |