TC2

N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide

Created: 2009-06-19
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count71
Aromatic Bond Count12
2D diagram of TC2
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Chemical Component Summary

NameN-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide
SynonymsTren bis-2,3-catecholamido mono-N-hydroxypyridin-2-one-6-amide
Systematic Name (OpenEye OEToolkits)N-[2-[bis[2-[(2,3-dihydroxyphenyl)carbonylamino]ethyl]amino]ethyl]-1-hydroxy-6-oxo-pyridine-2-carboxamide
FormulaC26 H29 N5 O9
Molecular Weight555.537
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c2cccc(O)c2O)N3O
SMILESCACTVS3.352ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)c2cccc(O)c2O)CCNC(=O)c3cccc(O)c3O
SMILESOpenEye OEToolkits1.7.0c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O
Canonical SMILESCACTVS3.352 ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)c2cccc(O)c2O)CCNC(=O)c3cccc(O)c3O
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O
InChIInChI1.03 InChI=1S/C26H29N5O9/c32-19-7-1-4-16(22(19)35)24(37)27-10-13-30(14-11-28-25(38)17-5-2-8-20(33)23(17)36)15-12-29-26(39)18-6-3-9-21(34)31(18)40/h1-9,32-33,35-36,40H,10-15H2,(H,27,37)(H,28,38)(H,29,39)
InChIKeyInChI1.03 SHTLBAYLLAIJDF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 45480154