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BioLiP

PDB CCD ID: JKC
Number of entries in BioLiP: 0
Chemical formula: C13 H18 N2 O4
InChI: InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey: VULSXQYFUHKBAN-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCCNC(=O)OCc1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)NCCCC(C(=O)O)N
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)NCCC[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CCCNC(=O)OCc1ccccc1)C(O)=O
Name:(2S)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid
ZINC: ZINC000002384791
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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