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BioLiP

PDB CCD ID: SN0
Number of entries in BioLiP: 22
Chemical formula: C9 H15 N O5
InChI: InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKey: HRAPDLBXHOBAKA-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)NC(=O)CCC(=O)O
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O
ACDLabs 10.04O=C(NC(C(=O)O)CCC)CCC(=O)O
CACTVS 3.341CCC[CH](NC(=O)CCC(O)=O)C(O)=O
Name:N-(3-CARBOXYPROPANOYL)-L-NORVALINE
DrugBank: DB08554
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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