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BioLiP Library

PDB CCD ID: KCQ
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O2
InChI: InChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7-/m0/s1
InChIKey: SFDIYLJAXOWYNO-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)[CH](N)C[CH]1CCNC1=O
CACTVS 3.385CC(=O)[C@@H](N)C[C@@H]1CCNC1=O
ACDLabs 10.04O=C1NCCC1CC(N)C(=O)C
OpenEye OEToolkits 1.7.5CC(=O)[C@H](C[C@@H]1CCNC1=O)N
OpenEye OEToolkits 1.7.5CC(=O)C(CC1CCNC1=O)N
Name:(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE
ZINC: ZINC000060272990
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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