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BioLiP Library

PDB CCD ID: 85J
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N2 O3
InChI: InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey: PFRXQAMOMSLGRY-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCNC(=O)CCC(C(=O)O)N
CACTVS 3.385CCCNC(=O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CCCNC(=O)CC[C@@H](C(=O)O)N
CACTVS 3.385CCCNC(=O)CC[CH](N)C(O)=O
ACDLabs 12.01NC(CCC(NCCC)=O)C(O)=O
Name:N-propyl-L-glutamine
ZINC: ZINC000013516142
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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