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BioLiP

PDB CCD ID: 5FQ
Number of entries in BioLiP: 2
Chemical formula: C8 H18 N2 O
InChI: InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey: XITIWNUYCSVDOK-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCNC(=O)[CH](C)N
ACDLabs 12.01CCCCCNC(C(C)N)=O
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCNC(=O)[C@H](C)N
OpenEye OEToolkits 1.9.2CCCCCNC(=O)C(C)N
Name:N-pentyl-L-alaninamide
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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