triostin A
Chemical Formula:
C50H62N12O12S2
Molecular Weight:
1087.233 Daltons
Monoisotopic Mass:
1086.4051568978 Daltons
SMILES:
CC(C)C1(C(=O)OCC(C(NC(C)C(N(C)C2(CSSCC(C(N(C)1)=O)N(C)C(C(C)NC(C(COC(C(C(C)C)N(C)C2=O)=O)NC(C4(C=NC3(=CC=CC=C3N=4)))=O)=O)=O))=O)=O)NC(C6(C=NC5(=CC=CC=C5N=6)))=O)
InChI:
1S/C50H62N12O12S2/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)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,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-18541
PubChem (CID):
72534
ChemSpider:
65433
Seed:
cpd11362
ChEBI:
80051
MetaNetX:
MNXM88075
KEGG:
C15721