ZHT

6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid

Created: 2023-06-23
Last modified:  2024-07-10

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Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count0
Bond Count73
Aromatic Bond Count12
2D diagram of ZHT
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Chemical Component Summary

Name6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
FormulaC25 H36 N6 O4
Molecular Weight484.591
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O
SMILESOpenEye OEToolkits2.0.7CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)Cc3cccc(n3)C(=O)O
Canonical SMILESCACTVS3.385 CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)Cc3cccc(n3)C(=O)O
InChIInChI1.06 InChI=1S/C25H36N6O4/c1-28(2)10-5-11-29-12-14-30(18-20-6-3-8-22(26-20)24(32)33)16-17-31(15-13-29)19-21-7-4-9-23(27-21)25(34)35/h3-4,6-9H,5,10-19H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyInChI1.06 PCYMPEWCWVVCFC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 171715925