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BioLiP

PDB CCD ID: K6V
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-3-4-7(10)8-6(2)5-9/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKey: LQLCVBWKNBEZHW-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCC(=O)NC(C)CO
ACDLabs 12.01C(C(C)NC(CCC)=O)O
CACTVS 3.385CCCC(=O)N[CH](C)CO
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCC(=O)N[C@@H](C)CO
Name:N-[(2S)-1-hydroxypropan-2-yl]butanamide
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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