Debug Info

object
{25}
_id
:
FrgYMAOx7TZ
compoundID
:
FrgYMAOx7TZ
ambiguous
:
false
names
[0]
name
:
#24B;N-[2-[4-BENZYL-(2R)-[(1S)-[3-[1-(2,6-DICHLOROBENZYL)-3-(PYRROLIDIN-1-YL-METHYL)-1H-INDAZOL-6-YL]-UREIDO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
[1]
properties
{7}
spectrumSourcesMap
{1}
spectrumSourcesMapSuggestedOrder
[1]
parentCompound
{1}
otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[1]
stereoisomerSaltCompounds
[0]
similarCompounds
[9]
vendors
[0]
articles
[1]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
[0]
spectrumSourcesMapCountOriginal
:
1
spectrumSourcesMapCountFiltered
:
1

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#24B;N-[2-[4-BENZYL-(2R)-[(1S)-[3-[1-(2,6-DICHLOROBENZYL)-3-(PYRROLIDIN-1-YL-METHYL)-1H-INDAZOL-6-YL]-UREIDO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-
SpectraBase Compound ID FrgYMAOx7TZ
InChI InChI=1S/C54H62Cl2N10O4.ClH/c55-44-21-14-22-45(56)43(44)33-66-49-30-41(24-25-42(49)48(62-66)34-63-27-12-13-28-63)59-54(70)61-47(29-38-15-4-1-5-16-38)50-35-65(32-40-19-8-3-9-20-40)52(68)37-64(50)36-51(67)60-46(23-10-11-26-57)53(69)58-31-39-17-6-2-7-18-39;/h1-9,14-22,24-25,30,46-47,50H,10-13,23,26-29,31-37,57H2,(H,58,69)(H,60,67)(H2,59,61,70);1H/t46?,47-,50-;/m1./s1
InChIKey GOPNITJMXLATBJ-HGNKWJFLSA-N
Mol Weight 1022.5 g/mol
Molecular Formula C54H63Cl3N10O4
Exact Mass 1020.409934 g/mol
Parent InChIKey UKLXBESLNJBUPL-TWLOKRTESA-N
Enantiomer InChIKey GOPNITJMXLATBJ-GXWUIFLUSA-N
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