2,5:2',5'-DIDE(EPIDITHIO)-2,2',5,5'-TETRAKIS(METHYLTHIO)CHETOMIN

CAS No.
84260-71-9
CCD No.
CCD02497725
Formula
C35 H42 N6 O6 S4
MolWeight
771.017

Basic Information

Product Name: 2,5:2',5'-DIDE(EPIDITHIO)-2,2',5,5'-TETRAKIS(METHYLTHIO)CHETOMIN
CAS: 84260-71-9
English Synonyms: DETHIO-TETRA(METHYLTHIO)CHETOMIN ; 2,5:2',5'-DIDE(EPIDITHIO)-2,2',5,5'-TETRAKIS(METHYLTHIO)CHETOMIN
MDL Number.: MFCD16036210
H bond acceptor: 12
H bond donor: 3
Smile: CN1C(=O)[C@](N(C(=O)[C@]1(Cc2cn(c3c2cccc3)[C@]45C[C@@]6(C(=O)N([C@@](C(=O)N6[C@H]4Nc7c5cccc7)(CO)SC)C)SC)SC)C)(CO)SC
InChi: InChI=1S/C35H42N6O6S4/c1-37-29(46)34(19-42,50-6)38(2)27(44)32(37,48-4)16-21-17-40(25-15-11-8-12-22(21)25)31-18-33(49-5)28(45)39(3)35(20-43,51-7)30(47)41(33)26(31)36-24-14-10-9-13-23(24)31/h8-15,17,26,36,42-43H,16,18-20H2,1-7H3/t26-,31+,32+,33+,34+,35+/m1/s1
InChiKey: InChIKey=YDUJBQZOCBSEQA-JLYHLUBJSA-N

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