Spectrum KO008950 for E-64

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)
LTLYEAJONXGNFG-UHFFFAOYSA-N
C15H27N5O5
357.201218964
O=C(O)C1OC1C(O)=NC(C(O)=NCCCCNC(=N)N)CC(C)C

Mass Spectral Metadata

NameValue
KO008950
2011.05.10 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID E015
357.20122
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS2
1.1
LC/MSD Trap Control and Data Analysis
positive
3.1997258502170505
0.6092077828870875
358
[M+H]+
584.3267150838559 ppm
-0.2091889640000204 Da