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BioLiP

PDB CCD ID: 7CC
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N2 O3
InChI: InChI=1S/C8H16N2O3/c1-3-10(4-2)7(11)5-6(9)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKey: OJVQWQDVWYYNQG-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)C(=O)C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CCN(CC)C(=O)C[C@@H](C(=O)O)N
CACTVS 3.385CCN(CC)C(=O)C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6CCN(CC)C(=O)CC(C(=O)O)N
ACDLabs 12.01O=C(O)C(CC(N(CC)CC)=O)N
Name:N,N-diethyl-L-asparagine
ZINC: ZINC000258753870
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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