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82599-24-4 | somatostatin, iodo-Tyr(1)-
CAS No: 82599-24-4 Catalog No: AG00GK12 MDL No:
Product Description
Catalog Number:
AG00GK12
Chemical Name:
somatostatin, iodo-Tyr(1)-
CAS Number:
82599-24-4
IUPAC Name:
(4R,7S,13S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-37-[[2-[[(2S)-2-amino-3-(4-hydroxy-3-(125I)iodanylphenyl)propanoyl]amino]acetyl]amino]-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
InChI:
InChI=1S/C82H107IN18O20S2/c1-44(103)68-80(118)97-59(36-48-22-10-5-11-23-48)77(115)101-69(45(2)104)81(119)98-62(41-102)78(116)99-64(82(120)121)43-123-122-42-63(90-67(107)40-89-70(108)53(86)33-49-28-29-65(105)52(83)32-49)79(117)92-55(26-14-16-30-84)71(109)96-61(38-66(87)106)76(114)94-57(34-46-18-6-3-7-19-46)73(111)93-58(35-47-20-8-4-9-21-47)74(112)95-60(37-50-39-88-54-25-13-12-24-51(50)54)75(113)91-56(72(110)100-68)27-15-17-31-85/h3-13,18-25,28-29,32,39,44-45,53,55-64,68-69,88,102-105H,14-17,26-27,30-31,33-38,40-43,84-86H2,1-2H3,(H2,87,106)(H,89,108)(H,90,107)(H,91,113)(H,92,117)(H,93,111)(H,94,114)(H,95,112)(H,96,109)(H,97,118)(H,98,119)(H,99,116)(H,100,110)(H,101,115)(H,120,121)/t44-,45-,53+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,68?,69?/m1/s1/i83-2
InChI Key:
BDQVALHNADALIA-ZYYPTIMHSA-N
Properties
Complexity:
3500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
13
Defined Bond Stereocenter Count:
0
Exact Mass:
1852.64g/mol
Formal Charge:
0
Heavy Atom Count:
123
Hydrogen Bond Acceptor Count:
25
Hydrogen Bond Donor Count:
23
Isotope Atom Count:
1
Molecular Weight:
1853.889g/mol
Monoisotopic Mass:
1852.64g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
684A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Activity of the hippocampal somatostatinergic system following daily administration of melatonin. | Brain research. Molecular brain research 20040726 |
| Ligand internalization and recycling by human recombinant somatostatin type 4 (h sst(4)) receptors expressed in CHO-K1 cells. | British journal of pharmacology 20010301 |
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