Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4VV

Summary
Name:(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)
Formula:C15 H26 N6 O2
Formal charge:0
Formula weight:322.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)
OpenEye OEToolkits1.9.2N-[(Z)-[3-[7-[(2Z)-2-[(oxidanylamino)methylidene]-4H-imidazol-3-yl]heptyl]-4H-imidazol-2-ylidene]methyl]hydroxylamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=N\C2=C/NO
InChIInChI1.03InChI=1S/C15H26N6O2/c22-18-12-14-16-6-10-20(14)8-4-2-1-3-5-9-21-11-7-17-15(21)13-19-23/h6-7,12-13,18-19,22-23H,1-5,8-11H2/b14-12+,15-13+
InChIKeyInChI1.03XUMCQYQLNOCDFI-QUMQEAAQSA-N
SMILES_CANONICALCACTVS3.385ON\C=C1/N=CCN1CCCCCCCN\2CC=NC\2=C\NO
SMILESCACTVS3.385ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO
SMILES_CANONICALOpenEye OEToolkits1.9.2C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2
SMILESOpenEye OEToolkits1.9.2C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO

223532

數據於2024-08-07公開中

PDB statisticsPDBj update infoContact PDBjnumon