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73391-89-6 | MSH, 2-(3,5-diiodo-Tyr)alpha-
CAS No: 73391-89-6 Catalog No: AG00FW3Y MDL No:
Product Description
Catalog Number:
AG00FW3Y
Chemical Name:
MSH, 2-(3,5-diiodo-Tyr)alpha-
CAS Number:
73391-89-6
IUPAC Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C77H107I2N21O19S/c1-40(2)63(65(81)108)99-75(118)60-20-13-26-100(60)76(119)53(18-10-11-24-80)90-61(104)36-87-66(109)56(32-44-34-86-49-17-9-8-16-46(44)49)96-67(110)50(19-12-25-85-77(82)83)91-70(113)54(30-42-14-6-5-7-15-42)94-72(115)57(33-45-35-84-39-88-45)97-68(111)51(21-22-62(105)106)92-69(112)52(23-27-120-4)93-74(117)59(38-102)98-71(114)55(95-73(116)58(37-101)89-41(3)103)31-43-28-47(78)64(107)48(79)29-43/h5-9,14-17,28-29,34-35,39-40,50-60,63,86,101-102,107H,10-13,18-27,30-33,36-38,80H2,1-4H3,(H2,81,108)(H,84,88)(H,87,109)(H,89,103)(H,90,104)(H,91,113)(H,92,112)(H,93,117)(H,94,115)(H,95,116)(H,96,110)(H,97,111)(H,98,114)(H,99,118)(H,105,106)(H4,82,83,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-/m0/s1
InChI Key:
XBBCRGKCBASHQG-WVPSHMGMSA-N
Properties
Complexity:
3460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
1915.586g/mol
Formal Charge:
0
Heavy Atom Count:
120
Hydrogen Bond Acceptor Count:
23
Hydrogen Bond Donor Count:
23
Isotope Atom Count:
0
Molecular Weight:
1916.7g/mol
Monoisotopic Mass:
1915.586g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
668A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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