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1-[1-(N-(methoxycarbonyl)amino)-2-(benzyloxycarbonylthio)-ethyl-2-hydroxy-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID 1WgWJ6VINP5
InChI InChI=1S/C23H25N3O5S/c1-30-22(28)25-21-20-17(16-9-5-6-10-18(16)24-20)11-12-26(21)13-19(27)32-23(29)31-14-15-7-3-2-4-8-15/h2-10,19,21,24,27H,11-14H2,1H3,(H,25,28)
InChIKey NBCACGZQTYDGCB-UHFFFAOYSA-N
Mol Weight 455.53 g/mol
Molecular Formula C23H25N3O5S
Exact Mass 455.151492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqnRLCOCwVS
Name 1-[1-(N-(methoxycarbonyl)amino)-2-(benzyloxycarbonylthio)-ethyl-2-hydroxy-1,2,3,4-tetrahydro-.beta.-carboline
CAS Registry Number 128965-45-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O5S
InChI InChI=1S/C23H25N3O5S/c1-30-22(28)25-21-20-17(16-9-5-6-10-18(16)24-20)11-12-26(21)13-19(27)32-23(29)31-14-15-7-3-2-4-8-15/h2-10,19,21,24,27H,11-14H2,1H3,(H,25,28)
InChIKey NBCACGZQTYDGCB-UHFFFAOYSA-N
Molecular Weight 455.529 g/mol
SMILES OC(CN1CCc2c(C1NC(=O)OC)[nH]c1ccccc21)SC(=O)OCc1ccccc1
SPLASH splash10-004i-9200000000-b3551bcd7cc8617751e2
Source of Spectrum F-45-7737-8
Synonyms O-benzyl S-(1-hydroxy-2-{1-[(methoxycarbonyl)amino]-1,3,4,9-tetrahydro-2H-.beta.-carbolin-2-yl}ethyl) thiocarbonate
Wiley ID 1389021