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BioLiP Library

PDB CCD ID: 7QA
Number of entries in BioLiP: 4
Chemical formula: C11 H19 N3 O7
InChI: InChI=1S/C11H19N3O7/c1-5(9(16)17)13-8(15)7(14-11(20)21)4-2-3-6(12)10(18)19/h5-7,14H,2-4,12H2,1H3,(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t5-,6-,7+/m1/s1
InChIKey: HUCJTZSCCQLPOD-QYNIQEEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O
OpenEye OEToolkits 2.0.6CC(C(=O)O)NC(=O)C(CCCC(C(=O)O)N)NC(=O)O
CACTVS 3.385C[CH](NC(=O)[CH](CCC[CH](N)C(O)=O)NC(O)=O)C(O)=O
ACDLabs 12.01C(CCCC(C(NC(C)C(O)=O)=O)NC(O)=O)(C(O)=O)N
Name:(2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid
ZINC: ZINC000584905384
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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