(3S,6S,9S,15S,21S,24S,27S,33S)-3,9,21,27-tetrakis(4-{[(1-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]amino}butyl)-6-(4-aminobutyl)-24-methyl-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone

化合物标识与属性

PubChem CID

177413609

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N1)CCCCNCC4=CN(N=N4)C[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)O)O)CCCCNCC8=CN(N=N8)C[C@@H]9[C@H]([C@H]([C@@H](O9)N1C=NC2=C1N=C(NC2=O)N)O)O)CCCCN)CCCCNCC1=CN(N=N1)C[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O)O)CCCCNCC1=CN(N=N1)C[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O)O

Canonical SMILES

C[C@@H]1NC(=O)[C@H](CCCCNCc2cn(C[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNCc2cn(C[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNCc2cn(C[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNCc2cn(C[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn2)NC1=O