Bisdethiobis(methylthio)gliotoxin

Catalog Number	ACM74149385-1
CAS Number	74149-38-5
Synonyms	(3R)-2,3,5aβ,6,10,10a-Hexahydro-6β-hydroxy-3β-(hydroxymethyl)-2-methyl-3α,10aα-bis(methylthio)pyrazino[1,2-a]indole-1,4-dione
Molecular Weight	356.5
InChI	InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1
InChI Key	OVBAGMZLGLXSBN-UOVKNHIHSA-N
Purity	95%+
Complexity	623
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	356.08644947
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC
Monoisotopic Mass	356.08644947
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	132 Ų

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