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N,N-Dipropyl-3-hydroxy-5-oxo-3-(N,N-dipropylamidomethyl)-6-(1-phenylsulfonyl-2-pyrrolyl)hexanamide 5-trimethylene acetal
SpectraBase Compound ID GpTP13P61YO
InChI InChI=1S/C33H51N3O7S/c1-5-17-34(18-6-2)30(37)25-32(39,26-31(38)35(19-7-3)20-8-4)27-33(42-22-13-23-43-33)24-28-14-12-21-36(28)44(40,41)29-15-10-9-11-16-29/h9-12,14-16,21,39H,5-8,13,17-20,22-27H2,1-4H3
InChIKey GRCOHHVJUXVUDR-UHFFFAOYSA-N
Mol Weight 633.8 g/mol
Molecular Formula C33H51N3O7S
Exact Mass 633.344772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4F6Nz1P92t
Name N,N-Dipropyl-3-hydroxy-5-oxo-3-(N,N-dipropylamidomethyl)-6-(1-phenylsulfonyl-2-pyrrolyl)hexanamide 5-trimethylene acetal
Alternate Name(s) 3-[[2-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-1,3-dioxan-2-yl]methyl]-3-hydroxy-N,N,N',N'-tetrapropylpentanediamide 3-[[2-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1,3-dioxan-2-yl]methyl]-3-hydroxy-N,N,N',N'-tetrapropylpentanediamide 3-[[2-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1,3-dioxan-2-yl]methyl]-3-hydroxy-N,N,N',N'-tetrapropyl-pentanediamide 3-Oxidanyl-3-[[2-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,3-dioxan-2-yl]methyl]-N,N,N',N'-tetrapropyl-pentanediamide
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Formula C33H51N3O7S
InChI InChI=1S/C33H51N3O7S/c1-5-17-34(18-6-2)30(37)25-32(39,26-31(38)35(19-7-3)20-8-4)27-33(42-22-13-23-43-33)24-28-14-12-21-36(28)44(40,41)29-15-10-9-11-16-29/h9-12,14-16,21,39H,5-8,13,17-20,22-27H2,1-4H3
InChIKey GRCOHHVJUXVUDR-UHFFFAOYSA-N
Molecular Weight 633.845 g/mol
SMILES OC(CC1(Cc2[n](S(=O)(=O)c3ccccc3)ccc2)OCCCO1)(CC(N(CCC)CCC)=O)CC(N(CCC)CCC)=O
SPLASH splash10-0006-7293100000-f1897ae9141c528bb941
Source of Spectrum E1-40-2351-45
Wiley ID 1519640