Molecular Structure:
CCD No.:CCD00106850
IRL 1620, [125I]-
Formula:C85H115I2N17O26
MolWeight:2040.94
![IRL 1620, [125I]- Detailed](../images/deli.png)
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| Product Name： | IRL 1620, [125I]- |
| English Synonyms： | IRL 1620, [125I]- |
| MDL Number.： | MFCD00235683 |
| H bond acceptor： | 43 |
| H bond donor： | 23 |
| Smile： | CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(O)C([125I])=C1)NC(=O)[C@H](CC1=CC=C(O)C([125I])=C1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O |
| InChi： | InChI=1S/C85H115I2N17O26/c1-12-41(7)70(83(127)101-61(85(129)130)33-48-36-89-53-17-15-14-16-50(48)53)104-84(128)71(42(8)13-2)103-81(125)60(35-68(114)115)99-78(122)56(28-39(3)4)97-80(124)59(34-49-37-88-38-90-49)96-73(117)44(10)93-77(121)57(31-46-18-22-62(105)51(86)29-46)98-79(123)58(32-47-19-23-63(106)52(87)30-47)100-82(126)69(40(5)6)102-74(118)45(11)92-75(119)54(20-25-65(108)109)95-76(120)55(21-26-66(110)111)94-72(116)43(9)91-64(107)24-27-67(112)113/h14-19,22-23,29-30,36-45,54-61,69-71,89,105-106H,12-13,20-21,24-28,31-35H2,1-11H3,(H,88,90)(H,91,107)(H,92,119)(H,93,121)(H,94,116)(H,95,120)(H,96,117)(H,97,124)(H,98,123)(H,99,122)(H,100,126)(H,101,127)(H,102,118)(H,103,125)(H,104,128)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t41-,42-,43-,44-,45-,54-,55-,56-,57-,58-,59-,60-,61-,69-,70-,71-/m0/s1/i86-2,87-2 |
| InChiKey： | InChIKey=PTVKVJNXMTWVTA-ADLZGRJGSA-N |
Basic Information
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