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BioLiP

PDB CCD ID: RHS
Number of entries in BioLiP: 0
Chemical formula: C13 H26 N2 O2
InChI: InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m0/s1
InChIKey: UVHRROJQACYJNP-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC(CC)NC(=O)C[CH](C(N)=O)C(C)(C)C
ACDLabs 10.04O=C(NC(CC)CC)CC(C(=O)N)C(C)(C)C
OpenEye OEToolkits 1.5.0CCC(CC)NC(=O)CC(C(=O)N)C(C)(C)C
OpenEye OEToolkits 1.5.0CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C
CACTVS 3.341CCC(CC)NC(=O)C[C@@H](C(N)=O)C(C)(C)C
Name:3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN
DrugBank: DB08474
ZINC: ZINC000006591680
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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