basic_info |
|
| Product_Name: | RHODAMINE 110, BIS-(N-CBZ-L-LEUCYL-L-GLUTAMYL-L- HISTIDINYL-L-ASPARTIC ACID AMIDE) |
| EnglishSynonyms: | Z-LEHD-R110 ; RHODAMINE 110, BIS-(N-CBZ-L-LEUCYL-L-GLUTAMYL-L- HISTIDINYL-L-ASPARTIC ACID AMIDE) |
| pro_mdlNumber: | MFCD05861527 |
| pro_acceptors: | 37 |
| pro_donors: | 16 |
| pro_smile: | CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)C=C1 |
| InChi: | InChI=1S/C78H86N14O23/c1-41(2)27-55(91-76(110)112-37-43-13-7-5-8-14-43)71(105)85-53(23-25-63(93)94)67(101)87-57(29-47-35-79-39-81-47)73(107)89-59(33-65(97)98)69(103)83-45-19-21-51-61(31-45)114-62-32-46(20-22-52(62)78(51)50-18-12-11-17-49(50)75(109)115-78)84-70(104)60(34-66(99)100)90-74(108)58(30-48-36-80-40-82-48)88-68(102)54(24-26-64(95)96)86-72(106)56(28-42(3)4)92-77(111)113-38-44-15-9-6-10-16-44/h5-22,31-32,35-36,39-42,53-60H,23-30,33-34,37-38H2,1-4H3,(H,79,81)(H,80,82)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,101)(H,88,102)(H,89,107)(H,90,108)(H,91,110)(H,92,111)(H,93,94)(H,95,96)(H,97,98)(H,99,100)/t53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 |
| InChiKey: | InChIKey=BBINQOQWTGOBHJ-GHMUVQADSA-N |
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