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BioLiP

PDB CCD ID: CLG
Number of entries in BioLiP: 0
Chemical formula: C10 H20 N4 O5
InChI: InChI=1S/C10H20N4O5/c11-7(10(17)18)3-1-2-4-13-8(15)5-14-9(16)6-19-12/h7H,1-6,11-12H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m0/s1
InChIKey: SXRKCWXXAJCBMM-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NOCC(=O)NCC(=O)NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N
CACTVS 3.341NOCC(=O)NCC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0C(CCNC(=O)CNC(=O)CON)CC(C(=O)O)N
ACDLabs 10.04O=C(NCCCCC(C(=O)O)N)CNC(=O)CON
Name:2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID
ZINC: ZINC000058631936
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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