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BioLiP

PDB CCD ID: 9WV
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N3 O3
InChI: InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKey: GCVUIVWSQPUJMO-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CN)C(=O)N[C@@H](CN)C(=O)O
OpenEye OEToolkits 2.0.6C(CN)C(=O)NC(CN)C(=O)O
CACTVS 3.385NCCC(=O)N[CH](CN)C(O)=O
CACTVS 3.385NCCC(=O)N[C@@H](CN)C(O)=O
ACDLabs 12.01NCC(NC(=O)CCN)C(O)=O
Name:beta-alanyl-3-amino-L-alanine
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).
  • 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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