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90549-76-1
Catalog No.:AA01E5NZ
90549-76-1 | AdipokineticHormoneII(SchistocercaGregaria)
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Technical Information
Catalog Number:
AA01E5NZ
Chemical Name:
AdipokineticHormoneII(SchistocercaGregaria)
CAS Number:
90549-76-1
IUPAC Name:
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
InChI:
InChI=1S/C44H59N11O12/c1-22(2)15-30(51-39(62)28-13-14-35(59)49-28)40(63)53-32(18-34(45)58)42(65)52-31(16-24-9-5-4-6-10-24)41(64)54-33(21-56)43(66)55-37(23(3)57)44(67)48-20-36(60)50-29(38(46)61)17-25-19-47-27-12-8-7-11-26(25)27/h4-12,19,22-23,28-33,37,47,56-57H,13-18,20-21H2,1-3H3,(H2,45,58)(H2,46,61)(H,48,67)(H,49,59)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)(H,55,66)/t23-,28+,29+,30+,31+,32+,33+,37+/m1/s1
InChI Key:
XQOJVJBGRDTTDI-KETHLMBQSA-N
Properties
Computed Properties
 
Complexity:
1800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
933.434g/mol
Formal Charge:
0
Heavy Atom Count:
67  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
934.021g/mol
Monoisotopic Mass:
933.434g/mol
Rotatable Bond Count:
25  
Topological Polar Surface Area:
375A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  

Synonyms
 
90549-76-1 
SCHEMBL1372344 
MFCD00076611 
pGlu-Leu-Asn-Phe-Ser-Thr-Gly-TrpNH2 
pGlu-Leu-Asn-Phe-Ser-Thr-Gly-Trp amide 
Adipokinetic Hormone II (Schistocerca gregaria) 
Literature

Title: Flight fuel and neuropeptidergic control of fuel mobilisation in the twig wilter, Holopterna alata (Hemiptera, Coreidae).

Journal: Journal of insect physiology 20060101

Title: Strategies for the isolation of insect peptides.

Journal: Peptides 19850101

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