KB2

(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one


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Chemical Component Summary

Name(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one
Identifiers(3S)-3-[4-[(2S)-3-methyl-2-(quinolin-6-ylmethylamino)butan-2-yl]-1,2,3-triazol-1-yl]heptan-2-one
FormulaC24 H33 N5 O
Molecular Weight407.552
TypeNON-POLYMER
Isomeric SMILESCCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3
InChIInChI=1S/C24H33N5O/c1-6-7-10-22(18(4)30)29-16-23(27-28-29)24(5,17(2)3)26-15-19-11-12-21-20(14-19)9-8-13-25-21/h8-9,11-14,16-17,22,26H,6-7,10,15H2,1-5H3/t22-,24-/m0/s1
InChIKeyXHOTUPQHXLRCJV-UPVQGACJSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count2
Bond Count65
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 49867189