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BioLiP

PDB CCD ID: NFH
Number of entries in BioLiP: 2
Chemical formula: C15 H29 N3 O4
InChI: InChI=1S/C15H29N3O4/c1-10(2)7-11(8-18(22)9-19)13(20)17-12(14(21)16-6)15(3,4)5/h9-12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)/t11-,12-/m1/s1
InChIKey: YRLGSCVOSAUJJE-VXGBXAGGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C
OpenEye OEToolkits 1.7.0CC(C)CC(CN(C=O)O)C(=O)NC(C(=O)NC)C(C)(C)C
ACDLabs 12.01O=CN(O)CC(C(=O)NC(C(=O)NC)C(C)(C)C)CC(C)C
CACTVS 3.370CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CN(O)C=O)C(C)(C)C
CACTVS 3.370CNC(=O)[CH](NC(=O)[CH](CC(C)C)CN(O)C=O)C(C)(C)C
Name:N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide
ZINC: ZINC000012080867
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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