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BioLiP Library

PDB CCD ID: BCY
Number of entries in BioLiP: 0
Chemical formula: C9 H15 N3 O2
InChI: InChI=1S/C9H15N3O2/c1-9(10)3-5-11-4-2-7(6-13)12(11)8(9)14/h6-7H,2-5,10H2,1H3/t7-,9-/m0/s1
InChIKey: DBXOZYHJFAKQPU-CBAPKCEASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=CC2N1C(=O)C(N)(CCN1CC2)C
OpenEye OEToolkits 1.5.0CC1(CCN2CCC(N2C1=O)C=O)N
CACTVS 3.341C[C@]1(N)CCN2CC[C@@H](C=O)N2C1=O
OpenEye OEToolkits 1.5.0C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N
CACTVS 3.341C[C]1(N)CCN2CC[CH](C=O)N2C1=O
Name:CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZANONAN-2-ONE
ZINC: ZINC000033582323
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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