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Dibenzyl {4- {[ 2'-{[2"-(benzylthio)ethyl]amino}ethoxyphosphoryl)ethyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl}-phosphate
SpectraBase Compound ID 9cjxXwbSnlb
InChI InChI=1S/C33H46N2O8P2S/c1-4-40-44(38)30(34-20-21-46-25-29-18-12-7-13-19-29)22-35-32(37)31(36)33(2,3)26-43-45(39,41-23-27-14-8-5-9-15-27)42-24-28-16-10-6-11-17-28/h5-19,30-31,34,36,44H,4,20-26H2,1-3H3,(H,35,37)
InChIKey IBTBWOSWKLHUDS-UHFFFAOYSA-N
Mol Weight 692.7 g/mol
Molecular Formula C33H46N2O8P2S
Exact Mass 692.245012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrDDUUsup8i
Name Dibenzyl {4- {[ 2'-{[2"-(benzylthio)ethyl]amino}ethoxyphosphoryl)ethyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl}-phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46N2O8P2S
InChI InChI=1S/C33H46N2O8P2S/c1-4-40-44(38)30(34-20-21-46-25-29-18-12-7-13-19-29)22-35-32(37)31(36)33(2,3)26-43-45(39,41-23-27-14-8-5-9-15-27)42-24-28-16-10-6-11-17-28/h5-19,30-31,34,36,44H,4,20-26H2,1-3H3,(H,35,37)
InChIKey IBTBWOSWKLHUDS-UHFFFAOYSA-N
Molecular Weight 692.745 g/mol
SMILES N(C(C(C(COP(=O)(OCc1ccccc1)OCc1ccccc1)(C)C)O)=O)CC(P(=O)OCC)NCCSCc1ccccc1
SPLASH splash10-0006-9300000000-6ccc18b506a33b46f2e5
Source of Spectrum H-80-101-13
Synonyms Ethyl 9-(benzyloxy)-1-{[2-(benzylsulfanyl)ethyl]amino}-5-hydroxy-6,6-dimethyl-9-oxido-4-oxo-11-phenyl-8,10-dioxa-3-aza-9-phosphaundec-1-ylphosphinate
Wiley ID 1414780