Spectrum KO002847 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
357.20121896399996
O=C(O)C1OC1C(O)=NC(C(O)=NCCCCNC(=N)N)CC(C)C

Mass Spectral Metadata

NameValue
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
KO002847
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
CC BY-NC-SA
KEIO_ID E015
357.20122
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.74517729206053
0.7091280675752663
358
[M+H]+
584.3267150836972 ppm
-0.20918896399996356 Da