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BioLiP

PDB CCD ID: Z0A
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N2 O2
InChI: InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1
InChIKey: GWPIOALDPNACHZ-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)CCC(CC1CCNC1=O)N
ACDLabs 12.01O=C1NCCC1CC(N)CCC(=O)C
OpenEye OEToolkits 1.7.0CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N
CACTVS 3.370CC(=O)CC[CH](N)C[CH]1CCNC1=O
CACTVS 3.370CC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
Name:(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one
ZINC: ZINC000098209655

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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