Bisbutitiamine

[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-butanoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] butanoate

Also Known As: Bisbutitiamine|BISBUTYTIAMINE|[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-butanoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] butanoate

Molecular Formula	C32H46N8O6S2
Molecular Weight	702.29816 g/mol
LogP	4.97604
Topological Polar Surface Area	196.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	21
Exact Mass	702.29816
Monoisotopic Mass	702.29816
Heavy Atoms	48
Complexity	1376.9972

Chemical Identifiers

CAS Number	3286-45-1
SMILES	CCCC(=O)OCC/C(=C(/C)\N(CC1=CN=C(N=C1N)C)C=O)/SS/C(=C(/C)\N(CC2=CN=C(N=C2N)C)C=O)/CCOC(=O)CCC