4-[[2-[[29a,62a,69,84-tetrakis(4-aminobutyl)-35a,75,78-tris(2-amino-2-oxo-ethyl)-14a-(3-amino-3-oxo-propyl)-8a,41a,72-tribenzyl-31,60-bis(2-carboxyethyl)-42-[[2-[[2-(1-carboxyethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-57-(carboxymethyl)-47a,48,56a,81,90-pentakis(3-guanidinopropyl)-11a,13,45-tris(1-hydroxyethyl)-66-(hydroxymethyl)-2a,16,38a,44a-tetrakis[(4-hydroxyphenyl)methyl]-20a,34-diisobutyl-5a-isopropyl-26a,32a,59a,63,87-pentamethyl-51-(2-methylsulfanylethyl)-1a,3,4a,7a,9,10a,12,13a,15,16a,18,19a,22a,24,25a,28a,30,31a,33,34a,36,37a,40a,43a,44,46a,47,49a,50,52a,53,55a,56,58a,59,61a,62,64a,65,68,71,74,77,80,83,86,89,92,95,98-pentacontaoxo-50a,53a-disec-butyl-39,40,66a,67a,70a,71a-hexathia-a,2,3a,6a,8,9a,11,12a,14,15a,17,18a,21a,23,24a,27a,29,30a,32,33a,35,36a,39a,42a,43,45a,46,48a,49,51a,52,54a,55,57a,58,60a,61,63a,64,67,70,73,76,79,82,85,88,91,94,97-pentacontazahexacyclo[91

化合物标识与属性

CAS

9087-70-1

PubChem CID

170843407

SMILES

CCC(C)C1C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NC2CSSCC3C(=NC(C(=NC(C(=NC(C(=NC(CSSCC(C(=NC(C(=NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=NC(C(=NC(C(=NCC(=O)N6CCCC6C(=NC(CSSCC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N3)O)CC(=O)O)O)CCC(=O)O)O)C)O)CO)O)CCCCN)O)CC7=CC=CC=C7)O)CC(=N)O)O)CC(=N)O)O)CCCNC(=N)N)O)CCCCN)O)C)O)CCCNC(=N)N)O)N=C(CN=C(CN=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C2O)CCC(=N)O)O)C(C)O)O)CC8=CC=CC=C8)O)C(C)C)O)CC9=CC=C(C=C9)O)O)O)O)C(=NC(C(=NC(C(=NC(C(=N1)O)CCCNC(=N)N)O)C)O)CCCCN)O)O)O)C(C)O)O)CC1=CC=C(C=C1)O)O)CCC(=O)O)O)CC(C)C)O)N=C(C(CC1=CC=CC=C1)N=C(C(CC(=O)O)N=C(C1CCCN1C(=O)C(CCCNC(=N)N)N)O)O)O)C(=NCC(=NCC(=NC(C)C(=O)O)O)O)O)O)C(C)O)O)CCCNC(=N)N)O)CCSC)O)O)CC(C)C)O)O)C)O)CCCCN)O)C)O)CC(=N)O)O)CC1=CC=C(C=C1)O)O)CC1=CC=CC=C1)O)CC1=CC=C(C=C1)O)O)CCCNC(=N)N)O)C(C)CC)O

Canonical SMILES

CCC(C)C1N=C(O)C(CCCNC(=N)N)N=C(O)C(C)N=C(O)C(CCCCN)N=C(O)C2CSSCC3N=C(O)CN=C(O)CN=C(O)C(Cc4ccc(O)cc4)N=C(O)C(C(C)C)N=C(O)C(Cc4ccccc4)N=C(O)C(C(C)O)N=C(O)C(CCC(=N)O)N=C(O)C(CSSCC(N=C(O)C(CC(=O)O)N=C(O)C(CCC(=O)O)N=C(O)C(C)N=C(O)C(CO)N=C(O)C(CCCCN)N=C(O)C(Cc4ccccc4)N=C(O)C(CC(=N)O)N=C(O)C(CC(=N)O)N=C(O)C(CCCNC(=N)N)N=C(O)C(CCCCN)N=C(O)C(C)N=C(O)C(CCCNC(=N)N)N=C3O)C(O)=NC(CCSC)C(O)=NC(CCCNC(=N)N)C(O)=NC(C(C)O)C(O)=NC(C(O)=NCC(O)=NCC(O)=NC(C)C(=O)O)CSSCC(N=C(O)C(Cc3ccccc3)N=C(O)C(CC(=O)O)N=C(O)C3CCCN3C(=O)C(N)CCCNC(=N)N)C(O)=NC(CC(C)C)C(O)=NC(CCC(=O)O)C(=O)N3CCCC3C(=O)N3CCCC3C(O)=NC(Cc3ccc(O)cc3)C(O)=NC(C(C)O)C(O)=NCC(=O)N3CCCC3C(O)=N2)N=C(O)C(CC(C)C)N=C(O)CN=C(O)C(C)N=C(O)C(CCCCN)N=C(O)C(C)N=C(O)C(CC(=N)O)N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(Cc2ccccc2)N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(CCCNC(=N)N)N=C(O)C(C(C)CC)N=C1O