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BioLiP

PDB CCD ID: OEE
Number of entries in BioLiP: 1
Chemical formula: C11 H19 N O4
InChI: InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1
InChIKey: DGQSAFHPNXJDHT-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O
CACTVS 3.385CC(C)(C)OC(=O)N[C@@](C)(CC(O)=C)C=O
OpenEye OEToolkits 2.0.7C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C
CACTVS 3.385CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O
Name:~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
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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