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BioLiP

PDB CCD ID: 9V0
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N5 O4
InChI: InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1
InChIKey: PGNICAOCNIVZRV-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-]
CACTVS 3.385N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)N=[N+]=[N-]
Name:(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
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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