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BioLiP

PDB CCD ID: Y24
Number of entries in BioLiP: 1
Chemical formula: C30 H47 N5 O5
InChI: InChI=1S/C30H47N5O5/c1-22(32-14-3-8-27(32)37)19-24(34-16-5-10-29(34)39)21-25(35-17-6-11-30(35)40)20-23(33-15-4-9-28(33)38)12-18-31-13-2-7-26(31)36/h22-25H,2-21H2,1H3/t22-,23-,24+,25+/m1/s1
InChIKey: NCEAZVHIMHJKAN-NGSHPTGOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CC(CC(CC(CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O
CACTVS 3.385C[CH](C[CH](C[CH](C[CH](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O
ACDLabs 12.01CC(N1CCCC1=O)CC(CC(CC(N2CCCC2=O)CCN3CCCC3=O)N4C(=O)CCC4)N5CCCC5=O
Name:1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one)
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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