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BioLiP Library

PDB CCD ID: C0D
Number of entries in BioLiP: 8
Chemical formula: C14 H28 N2 O3
InChI: InChI=1S/C14H28N2O3/c1-5-6-7-9-15-11(17)8-10-16-13(19)12(18)14(2,3)4/h12,18H,5-10H2,1-4H3,(H,15,17)(H,16,19)/t12-/m0/s1
InChIKey: ZNKPIBQTIYRSDI-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C
CACTVS 3.385CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
OpenEye OEToolkits 2.0.6CCCCCNC(=O)CCNC(=O)C(C(C)(C)C)O
OpenEye OEToolkits 2.0.6CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O
ACDLabs 12.01CC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C
Name:(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]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)(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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