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BioLiP

PDB CCD ID: RHV
Number of entries in BioLiP: 1
Chemical formula: C13 H18 N2 O3
InChI: InChI=1S/C13H18N2O3/c1-4-18-12(16)8-15-13(17)10(3)11-7-9(2)5-6-14-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKey: KSDRXGUQEISVKG-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)CNC(=O)[CH](C)c1cc(C)ccn1
OpenEye OEToolkits 2.0.6CCOC(=O)CNC(=O)C(C)c1cc(ccn1)C
ACDLabs 12.01C(C(NCC(OCC)=O)=O)(C)c1cc(C)ccn1
OpenEye OEToolkits 2.0.6CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C
CACTVS 3.385CCOC(=O)CNC(=O)[C@H](C)c1cc(C)ccn1
Name:ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
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)(download the PDF file).
  • 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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