thiocoraline dithiol
Chemical Formula:
C48H58N10O12S6
Molecular Weight:
1159.406 Daltons
Monoisotopic Mass:
1158.255991519 Daltons
SMILES:
CN3(C(=O)CNC(=O)C(NC(=O)C2(N=C1(C=CC=CC1=CC(O)=2)))CSC(=O)C(CSC)N(C)C(=O)C(CS)N(C)C(=O)CNC(=O)C(CSC(=O)C(CSC)N(C)C(=O)C3CS)NC(=O)C5(=NC4(=CC=CC=C4C=C(O)5)))
InChI:
1S/C48H58N10O12S6/c1-55-31(19-71)45(67)57(3)33(23-73-5)47(69)75-22-30(54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40)42(64)50-18-38(62)56(2)32(20-72)46(68)58(4)34(24-74-6)48(70)76-21-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39/h7-16,29-34,59-60,71-72H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30-,31+,32+,33+,34+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18558
PubChem (CID):
102514970
MetaNetX:
MNXM165179