triostin A dithiol
Chemical Formula:
C50H64N12O12S2
Molecular Weight:
1089.249 Daltons
Monoisotopic Mass:
1088.420806962 Daltons
SMILES:
CC(C)C1(C(=O)OCC(C(NC(C)C(N(C)C(CS)C(N(C)C(C(=O)OCC(C(NC(C)C(N(C)C(CS)C(N(C)1)=O)=O)=O)NC(C3(C=NC2(=CC=CC=C2N=3)))=O)C(C)C)=O)=O)=O)NC(C5(C=NC4(=CC=CC=C4N=5)))=O)
InChI:
1S/C50H64N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38(24-76)48(70)62(10)40(26(3)4)50(72)74-22-36(58-42(64)34-20-52-30-16-12-14-18-32(30)56-34)44(66)54-27(5)45(67)59(7)37(23-75)47(69)61(39)9/h11-20,25-28,35-40,75-76H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37+,38+,39-,40-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18549
PubChem (CID):
102515338
MetaNetX:
MNXM165196