Tetrahydropyrrolo[2,1-a](1,4,7,10,13-pentaazocyclopentadecane-2,5,8,11,14-pentaone), 4,7-dimethyl-9-diphenylmethylthio)methyl-

SpectraBase Compound ID	81Xyl5Rd2hy
InChI	InChI=1S/C29H35N5O5S/c1-32-18-26(37)34-15-9-14-23(34)28(38)30-16-24(35)31-22(29(39)33(2)17-25(32)36)19-40-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22-23,27H,9,14-19H2,1-2H3,(H,30,38)(H,31,35)
InChIKey	YVMSPZKZIVBVPY-UHFFFAOYSA-N Google Search
Mol Weight	565.7 g/mol
Molecular Formula	C29H35N5O5S
Exact Mass	565.23589 g/mol

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SpectraBase Spectrum ID	Ami2ypP2T2l
Name	Tetrahydropyrrolo[2,1-a](1,4,7,10,13-pentaazocyclopentadecane-2,5,8,11,14-pentaone), 4,7-dimethyl-9-diphenylmethylthio)methyl-
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H35N5O5S
InChI	InChI=1S/C29H35N5O5S/c1-32-18-26(37)34-15-9-14-23(34)28(38)30-16-24(35)31-22(29(39)33(2)17-25(32)36)19-40-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22-23,27H,9,14-19H2,1-2H3,(H,30,38)(H,31,35)
InChIKey	YVMSPZKZIVBVPY-UHFFFAOYSA-N
Molecular Weight	565.689 g/mol
SMILES	N1C(C(N(CC(N(CC(N2C(C(NCC1=O)=O)CCC2)=O)C)=O)C)=O)CSC(c1ccccc1)c1ccccc1
SPLASH	splash10-014i-5912000000-5af4596179feca30a688
Synonyms	6-[(Benzhydrylsulfanyl)methyl]-8,11-dimethyldodecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecine-1,4,7,10,13-pentone 9-(benzhydrylsulfanylmethyl)-4,7-dimethyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone 9-[(benzhydrylthio)methyl]-4,7-dimethyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone 9-[(diphenylmethyl)sulfanylmethyl]-4,7-dimethyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone 9-[[(diphenylmethyl)thio]methyl]-4,7-dimethyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Wiley ID	1477979