N-[2-(1,3-Dithian-2-yl)2-oxoethyl])monamide

SpectraBase Compound ID	ITxfH52d0TB
InChI	InChI=1S/C23H37NO7S2/c1-12(8-19(27)24-10-16(26)23-32-5-4-6-33-23)7-17-21(29)20(28)15(11-30-17)9-18-22(31-18)13(2)14(3)25/h8,13-15,17-18,20-23,25,28-29H,4-7,9-11H2,1-3H3,(H,24,27)/b12-8+/t13-,14-,15-,17-,18-,20+,21-,22-/m0/s1
InChIKey	REBMHGBCWMOPFY-OZOZMRLTSA-N Google Search
Mol Weight	503.7 g/mol
Molecular Formula	C23H37NO7S2
Exact Mass	503.201145 g/mol

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SpectraBase Spectrum ID	H7Cg6Ak2d5s
Name	N-[2-(1,3-Dithian-2-yl)2-oxoethyl])monamide
Alternate Name(s)	(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-N-[2-(1,3-dithian-2-yl)-2-oxoethyl]-3-methyl-2-butenamide (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-N-[2-(1,3-dithian-2-yl)-2-oxoethyl]-3-methylbut-2-enamide (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-N-[2-(1,3-dithian-2-yl)-2-oxo-ethyl]-3-methyl-but-2-enamide (E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-N-[2-(1,3-dithian-2-yl)-2-oxidanylidene-ethyl]-3-methyl-but-2-enamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H37NO7S2
InChI	InChI=1S/C23H37NO7S2/c1-12(8-19(27)24-10-16(26)23-32-5-4-6-33-23)7-17-21(29)20(28)15(11-30-17)9-18-22(31-18)13(2)14(3)25/h8,13-15,17-18,20-23,25,28-29H,4-7,9-11H2,1-3H3,(H,24,27)/b12-8+/t13-,14-,15-,17-,18-,20+,21-,22-/m0/s1
InChIKey	REBMHGBCWMOPFY-OZOZMRLTSA-N
Molecular Weight	503.669 g/mol
SMILES	O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(NCC(C1SCCCS1)=O)=O)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH	splash10-014i-0900000000-107c8763b2f82f68a6d5
Source of Spectrum	E1-39-452-3
Wiley ID	1598687