10,51,75,87-tetrakis(4-aminobutyl)-31-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-hydroxy-propanoyl]amino]-93-(3-amino-3-oxo-propyl)-60,96-dibenzyl-25-(carboxymethyl)-4,54,69-tris(3-guanidinopropyl)-2a,22,39,48-tetrakis(1-hydroxyethyl)-7,63,81-tris(hydroxymethyl)-72-[(4-hydroxyphenyl)methyl]-84-(1H-imidazol-4-ylmethyl)-66-isobutyl-99-methyl-78-(2-methylsulfanylethyl)-1a,3,4a,6,9,12,18,21,24,27,30,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-dotriacontaoxo-19,28-disec-butyl-6a,7a,10a,11a,33,34-hexathia-a,2,3a,5,8,11,17,20,23,26,29,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-dotriacontazatetracyclo[55.47.4.445,90.013,17]dodecahectane-36-carboxylic acid

化合物标识与属性

CAS

172450-46-3

PubChem CID

176447214

SMILES

CCC(C)C1C(=NC(C(=NC(C(=NC(C(=O)N2CCCC2C(=NC(C(=NC(C(=NC(C(=NC3CSSCC4C(=NC(C(=NC(C(=NC(C(=NC(CSSCC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N4)O)CC5=CC=CC=C5)O)CO)O)CC(C)C)O)CCCNC(=N)N)O)CC6=CC=C(C=C6)O)O)CCCCN)O)CCSC)O)CO)O)CC7=CN=CN7)O)CCCCN)O)N=C(C(N=C(C(N=C(C(N=C(C(N=C3O)C(C)O)O)C)O)CC8=CC=CC=C8)O)CCC(=N)O)O)C(=NCC(=NC(C(=NC(CSSCC(C(=N1)O)N=C(C(CO)N=C(C(CCCNC(=N)N)N)O)O)C(=O)O)O)C(C)O)O)O)O)C(C)O)O)CCCCN)O)CCCNC(=N)N)O)O)CCCNC(=N)N)O)CO)O)CCCCN)O)C(C)CC)O)C(C)O)O)CC(=O)O)O

Canonical SMILES

CCC(C)C1N=C(O)C(C(C)O)N=C(O)C(CC(=O)O)N=C(O)C(C(C)CC)N=C(O)C(N=C(O)C(CO)N=C(O)C(N)CCCNC(=N)N)CSSCC(C(=O)O)N=C(O)C(C(C)O)N=C(O)CN=C(O)C2CSSCC3N=C(O)C(CCC(=N)O)N=C(O)C(Cc4ccccc4)N=C(O)C(C)N=C(O)C(C(C)O)N=C(O)C(CSSCC(N=C(O)C(Cc4ccccc4)N=C(O)C(CO)N=C(O)C(CC(C)C)N=C(O)C(CCCNC(=N)N)N=C(O)C(Cc4ccc(O)cc4)N=C(O)C(CCCCN)N=C(O)C(CCSC)N=C(O)C(CO)N=C(O)C(Cc4cnc[nH]4)N=C(O)C(CCCCN)N=C3O)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCCN)C(O)=NC(C(C)O)C(O)=N2)N=C(O)C(CCCNC(=N)N)N=C(O)C(CO)N=C(O)C(CCCCN)N=C(O)C2CCCN2C1=O