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BioLiP

PDB CCD ID: JGJ
Number of entries in BioLiP: 3
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKey: LJEDIKNIRTZHGK-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@H](c1ccccc1)NC(=O)COC
CACTVS 3.385COCC(=O)N[C@H](C)c1ccccc1
ACDLabs 12.01C(NC(C)c1ccccc1)(=O)COC
OpenEye OEToolkits 2.0.6CC(c1ccccc1)NC(=O)COC
CACTVS 3.385COCC(=O)N[CH](C)c1ccccc1
Name:2-methoxy-N-[(1R)-1-phenylethyl]acetamide
ZINC: ZINC000000361814
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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