thiocoraline
Chemical Formula:
C48H56N10O12S6
Molecular Weight:
1157.39 Daltons
Monoisotopic Mass:
1156.2403414548 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)C6(CSSCC3C(=O)N(C)C(CSC)C(=O)SCC(NC(=O)C5(=NC4(=CC=CC=C4C=C(O)5)))C(=O)NCC(N6C)=O))
InChI:
1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,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-18540
PubChem (CID):
70698112
ChEBI:
69052
Seed:
cpd11368
MetaNetX:
MNXM113516
KEGG:
C15727