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(2S,5R,1'R,1"R,2"R)-2-{2'-Benzenesulfonyl-1'-(2"-hydroxycyclopropyl)ethyl]-5-isopropyl-6-methoxy-2,5-dihydro-4H-pyrazin-3-one

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(2S,5R,1'R,1"R,2"R)-2-{2'-Benzenesulfonyl-1'-(2"-hydroxycyclopropyl)ethyl]-5-isopropyl-6-methoxy-2,5-dihydro-4H-pyrazin-3-one
SpectraBase Compound ID 5orgNNj9ysP
InChI InChI=1S/C19H26N2O5S/c1-11(2)16-19(26-3)21-17(18(23)20-16)14(13-9-15(13)22)10-27(24,25)12-7-5-4-6-8-12/h4-8,11,13-17,22H,9-10H2,1-3H3,(H,20,23)/t13-,14-,15-,16-,17+/m1/s1
InChIKey GDCCLOOKXCVMBH-HHARLNAUSA-N
Mol Weight 394.49 g/mol
Molecular Formula C19H26N2O5S
Exact Mass 394.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nPG2i7FgSe
Name (2S,5R,1'R,1"R,2"R)-2-{2'-Benzenesulfonyl-1'-(2"-hydroxycyclopropyl)ethyl]-5-isopropyl-6-methoxy-2,5-dihydro-4H-pyrazin-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O5S
InChI InChI=1S/C19H26N2O5S/c1-11(2)16-19(26-3)21-17(18(23)20-16)14(13-9-15(13)22)10-27(24,25)12-7-5-4-6-8-12/h4-8,11,13-17,22H,9-10H2,1-3H3,(H,20,23)/t13-,14-,15-,16-,17+/m1/s1
InChIKey GDCCLOOKXCVMBH-HHARLNAUSA-N
Molecular Weight 394.486 g/mol
SMILES O[C@@]1(C[C@@]1([C@]([C@@]1(N=C([C@](NC1=O)(C(C)C)[H])OC)[H])(CS(=O)(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-000b-0409000000-01378636d050c13e760c
Source of Spectrum KC-61-704-12
Synonyms (2S,5R,1'R,1''R,2''R)-2-{2'-Benzenesulfonyl-1'-(2''-hydroxycyclopropyl)ethyl]-5-isopropyl-6-methoxy-2,5-dihydro-1H-pyrazin-3-one (3S,6R)-3-[(1R)-1-[(1R,2R)-2-hydroxycyclopropyl]-2-(phenylsulfonyl)ethyl]-6-isopropyl-5-methoxy-3,6-dihydro-2(1H)-pyrazinone
Wiley ID 1627229