2-[51,80,92-tris(4-aminobutyl)-9-[(2-amino-4-methylsulfanyl-butanoyl)amino]-39,62-bis(3-amino-3-oxo-propyl)-24-benzyl-5a-[(1-carbamoyl-4-guanidino-butyl)carbamoyl]-20a,33-bis(carboxymethyl)-48,86-bis(3-guanidinopropyl)-27,30-bis(1-hydroxyethyl)-74-[(4-hydroxyphenyl)methyl]-36-(1H-imidazol-4-ylmethyl)-8a-isobutyl-45-methyl-12,42-bis(2-methylsulfanylethyl)-a,3,7a,10,10a,13,15a,18a,19,21a,22,25,28,31,34,37,40,43,46,49,52,61,64,70,73,76,79,82,85,88,91,94,97-tritriacontaoxo-2a,3a,6,7,12a,13a,56,57-octathia-2,6a,9a,11,14,16a,19a,20,22a,23,26,29,32,35,38,41,44,47,50,53,60,63,69,72,75,78,81,84,87,90,93,96,99-tritriacontazahexacyclo[57.41.10.84,54.421,77.014,18.065,69]docosahectan-17a-yl]acetic acid

化合物标识与属性

CAS

163515-35-3

PubChem CID

176451015

SMILES

CC1C(=NC(C(=NC(C(=NC2CSSCC3C(=NC(C(=NC(CSSCC4C(=NCC(=NCC(=NC(C(=NCC(=NC(C(=NCC(=NC(C(=NC(CSSCC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N1)O)CCSC)O)CCC(=N)O)O)CC5=CN=CN5)O)CC(=O)O)O)C(C)O)O)C(C)O)O)CC6=CC=CC=C6)O)N=C(C7CCCN7C(=O)C(N=C(C(CSSCC(C(=N4)O)N=C(C(N=C(C(N=C2O)CC(=O)O)O)CC(=O)O)O)N=C(C(CCSC)N)O)O)CCSC)O)C(=NC(C(=NCC(=O)N8CCCC8C(=NC(C(=N3)O)CCC(=N)O)O)O)CC9=CC=C(C=C9)O)O)O)CCCCN)O)O)CCCNC(=N)N)O)O)CCCCN)O)O)O)C(=NC(CCCNC(=N)N)C(=N)O)O)O)CC(C)C)O)O)CCCCN)O)CCCNC(=N)N)O

Canonical SMILES

CSCCC(N)C(O)=NC1CSSCC2N=C(O)C(CC(=O)O)N=C(O)C(CC(=O)O)N=C(O)C3CSSCC4N=C(O)C(CCC(=N)O)N=C(O)C5CCCN5C(=O)CN=C(O)C(Cc5ccc(O)cc5)N=C(O)C(CSSCC(N=C(O)C5CCCN5C(=O)C(CCSC)N=C1O)C(O)=NC(Cc1ccccc1)C(O)=NC(C(C)O)C(O)=NC(C(C)O)C(O)=NC(CC(=O)O)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NC(CCSC)C(O)=NC(C)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCCN)C(O)=N3)N=C(O)C(CCCCN)N=C(O)CN=C(O)C(CCCNC(=N)N)N=C(O)CN=C(O)C(CCCCN)N=C(O)CN=C(O)CN=C(O)C(CSSCC(C(O)=NC(CCCNC(=N)N)C(=N)O)N=C(O)C(CC(C)C)N=C4O)N=C2O