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trans-1-[3-(acetylthio)-2-methylpropionyl]2,5-bis(methylaminocarbonyl)-pyrrolidine

View entire compound with spectra: 1 MS (GC)

trans-1-[3-(acetylthio)-2-methylpropionyl]2,5-bis(methylaminocarbonyl)-pyrrolidine
SpectraBase Compound ID 2EeOiyNaShy
InChI InChI=1S/C14H23N3O4S/c1-8(7-22-9(2)18)14(21)17-10(12(19)15-3)5-6-11(17)13(20)16-4/h8,10-11H,5-7H2,1-4H3,(H,15,19)(H,16,20)/t8?,10-,11-/m0/s1
InChIKey DPOGSCMZLYSBAE-CSUXEGHOSA-N
Mol Weight 329.42 g/mol
Molecular Formula C14H23N3O4S
Exact Mass 329.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9SyUIoq4Ym
Name trans-1-[3-(acetylthio)-2-methylpropionyl]2,5-bis(methylaminocarbonyl)-pyrrolidine
Alternate Name(s) Ethanethioic acid S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)-1-pyrrolidinyl]-2-methyl-3-oxopropyl]ester Ethanethioic acid S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)pyrrolidino]-3-keto-2-methyl-propyl]ester S-(3-{(2S,5S)-2,5-bis[(methylamino)carbonyl]pyrrolidinyl}-2-methyl-3-oxopropyl) ethanethioate S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl]ethanethioate S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxo-propyl]ethanethioate Ethanethioic acid S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate S-[3-[(2S,5S)-2,5-bis(methylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate
CAS Registry Number 118376-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23N3O4S
InChI InChI=1S/C14H23N3O4S/c1-8(7-22-9(2)18)14(21)17-10(12(19)15-3)5-6-11(17)13(20)16-4/h8,10-11H,5-7H2,1-4H3,(H,15,19)(H,16,20)/t8?,10-,11-/m0/s1
InChIKey DPOGSCMZLYSBAE-CSUXEGHOSA-N
Molecular Weight 329.415 g/mol
SMILES N(C([C@]1(N([C@](C(=O)NC)(CC1)[H])C(C(CSC(=O)C)C)=O)[H])=O)C
SPLASH splash10-004i-0390000000-61f36ed30390026ec9b8
Source of Spectrum K-122-559-11
Wiley ID 1326964