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| Standard English name | |
|---|---|
| Cas No. | 1201839-76-0 |
| Alias | N,N',N'',N'''-(((2R,2'R,2''R,2'''R,4S,4'S,4''S,4'''S,5S,5'S,5''S,5'''S)-((adamantane-1,3,5,7-tetrayltetrakis(benzene-4,1-diyl))tetrakis(1H-1,2,3-triazole-4,1-diyl))tetrakis(5-(hydroxymethyl)tetrahydrofuran-4,2-diyl))tetrakis(2-oxo-1,2-dihydropyrimidine-1,4-diyl))tetrabenzamide |
| Canonical Smiles | OC[C@H]1O[C@H](C[C@@H]1N1C=C(N=N1)C1C=CC(=CC=1)C12CC3(CC(C1)(CC(C2)(C3)C1C=CC(=CC=1)C1=CN(N=N1)[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(NC(=O)C2C=CC=CC=2)=NC1=O)C1C=CC(=CC=1)C1=CN(N=N1)[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(NC(=O)C2C=CC=CC=2)=NC1=O)C1C=CC(=CC=1)C1=CN(N=N1)[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(NC(=O)C2C=CC=CC=2)=NC1=O)N1C=CC(NC(=O)C2C=CC=CC=2)=NC1=O |
| MDL No. | |
| Exact Mass | 1,960.74361 |
| Smiles | OC[C@@H]1[C@@H](N2N=NC(C3=CC=C(C4(C5)CC6(C7=CC=C(C8=CN([C@@H](C[C@H](N9C(N=C(C=C9)NC(C%10=CC=CC=C%10)=O)=O)O%11)[C@H]%11CO)N=N8)C=C7)CC5(C%12=CC=C(C%13=CN([C@@H](C[C@H](N%14C(N=C(C=C%14)NC(C%15=CC=CC=C%15)=O)=O)O%16)[C@H]%16CO)N=N%13)C=C%12)CC(C6)(C%17=CC=C(C%18=CN([C@@H](C[C@H](N%19C(N=C(C=C%19)NC(C%20=CC=CC=C%20)=O)=O)O%21)[C@H]%21CO)N=N%18)C=C%17)C4)C=C3)=C2)C[C@H](N%22C(N=C(C=C%22)NC(C%23=CC=CC=C%23)=O)=O)O1 |
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| Inchi | InChI=1S/C106H96N24O16/c131-53-83-79(45-91(143-83)123-41-37-87(111-99(123)139)107-95(135)67-13-5-1-6-14-67)127-49-75(115-119-127)63-21-29-71(30-22-63)103-57-104(72-31-23-64(24-32-72)76-50-128(120-116-76)80-46-92(144-84(80)54-132)124-42-38-88(112-100(124)140)108-96(136)68-15-7-2-8-16-68)60-105(58-103,73-33-25-65(26-34-73)77-51-129(121-117-77)81-47-93(145-85(81)55-133)125-43-39-89(113-101(125)141)109-97(137)69-17-9-3-10-18-69)62-106(59-103,61-104)74-35-27-66(28-36-74)78-52-130(122-118-78)82-48-94(146-86(82)56-134)126-44-40-90(114-102(126)142)110-98(138)70-19-11-4-12-20-70/h1-44,49-52,79-86,91-94,131-134H,45-48,53-62H2,(H,107,111,135,139)(H,108,112,136,140)(H,109,113,137,141)(H,110,114,138,142)/t79-,80-,81-,82-,83+,84+,85+,86+,91+,92+,93+,94+,103?,104?,105?,106?/m0/s1 |
| InchiKey | LBGUZVWLOMCBCM-KACFEKBQSA-N |
| Remark |
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