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159600-82-5 | (p-Iodo-Phe7)-ACTH (4-10) H-Met-Glu-His-p-iodo-Phe-Arg-Trp-Gly-OH
CAS No: 159600-82-5 Catalog No: AG01E6TE MDL No:
Product Description
Catalog Number:
AG01E6TE
Chemical Name:
(p-Iodo-Phe7)-ACTH (4-10) H-Met-Glu-His-p-iodo-Phe-Arg-Trp-Gly-OH
CAS Number:
159600-82-5
IUPAC Name:
(4S)-4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C44H58IN13O10S/c1-69-16-14-29(46)38(63)54-32(12-13-36(59)60)41(66)58-35(19-27-21-49-23-53-27)43(68)56-33(17-24-8-10-26(45)11-9-24)42(67)55-31(7-4-15-50-44(47)48)40(65)57-34(39(64)52-22-37(61)62)18-25-20-51-30-6-3-2-5-28(25)30/h2-3,5-6,8-11,20-21,23,29,31-35,51H,4,7,12-19,22,46H2,1H3,(H,49,53)(H,52,64)(H,54,63)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,60)(H,61,62)(H4,47,48,50)/t29-,31-,32-,33-,34-,35-/m0/s1
InChI Key:
JEHNDLZVGYWOAY-LXOXETEGSA-N
Properties
Complexity:
1770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
1087.32g/mol
Formal Charge:
0
Heavy Atom Count:
69
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
1087.993g/mol
Monoisotopic Mass:
1087.32g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
409A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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