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BioLiP

PDB CCD ID: OUR
Number of entries in BioLiP: 0
Chemical formula: C7 H18 N5 O2
InChI: InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1
InChIKey: BPSMJLMFAYHPDH-YFKPBYRVSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCCNC(N)=[NH2+])CNC(O)=O
CACTVS 3.385N[C@@H](CCCNC(N)=[NH2+])CNC(O)=O
OpenEye OEToolkits 2.0.6C(CC(CNC(=O)O)N)CNC(=[NH2+])N
OpenEye OEToolkits 2.0.6C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N
Name:[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
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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