Herqueline

(2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione

Also Known As: Herqueline|Herquline A|Herquline|Herquiline|J1.345.050A|(2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione|4H-5,2-(Iminomethano)-11,7-methenopyrrolo(3,2,1-no)(1)benzazacycloundecine-10,12-dione, 1,2,5,6,8,9,11,11a,13,14,14a,14b-dodecahydro-16-methyl-, (2R*,5R*,11S*,11aS*,14aS*,14bR*)-(-)-|(2R,5R,11S,11aS,14aS,14bR)-rel-(-)-1,2,5,6,8,9,11,11a,13,14,14a,14b-dodecahydro-16-methyl-4H-5,2-(iminomethano)-11,7-methenopyrrolo[3,2,1-no][1]benzazacycloundecine-10,12-dione|(1R,5R,7S,10S,16R,17S)-9-Methyl-9,18-diazapentacyclo[8.6.3.112,16.05,17.07,18]icosane-12(20)-ene-2,15-dione|(2S,11R,11aR,14aR,14bS)-16-Methyldodecahydro-4H-5,2-(epiminomethano)-11,7-(metheno)azacycloundecino[3,2,1-hi]indole-10,12-dione|(2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo(12.3.1.13,17.18,12.02,7)icos-12(20)-ene-6,9-dione|(2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.1(3),(1)?.1?,(1)(2).0(2),?]icos-12(20)-ene-6,9-dione|(2S,5S,11R,11aR,14aR,14bS)-16-methyldodecahydro-4H-5,2-(epiminomethano)-11,7-(metheno)azacycloundecino[3,2,1-hi]indole-10,12-dione

Molecular Formula	C19H26N2O2
Molecular Weight	314.19943 g/mol
LogP	0.7
Topological Polar Surface Area	40.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	314.19943
Monoisotopic Mass	314.19943
Heavy Atoms	23
Complexity	598.0

Chemical Identifiers

CAS Number	71812-08-3
SMILES	CN1C[C@@H]2C[C@H]3CCC(=O)[C@H]4[C@H]3N2C[C@@H]1CC5=C[C@H]4C(=O)CC5
InChIKey	UFKNDVKQCSBIQE-OCANJJRCSA-N