C38H42N8O6S2

[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate

Also Known As: Bisbentiamine|Bisbentiamina|Bisbentiaminum|Beprocin|Beston|BTDS|Benzoylthiamine disulfide|Bisbentiamine [INN:JAN]|O-Benzoylthiamine disulfide|Bisbentiaminum [INN-Latin]|Bisbentiamina [INN-Spanish]|Bis(O-benzoylthiamine)disulfide|EINECS 220-206-6|U842|5-25-12-00170 (Beilstein Handbook Reference)|[4-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate|[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-benzoyloxyethyl)prop-1-enyl]disulfanyl]pent-3-enyl] benzoate|Disulfanediylbis(2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}pent-2-ene-3,5-diyl) dibenzoate|Formamide, N,N'-(dithiobis(2-(2-(benzoyloxy)ethyl)-1-methyl-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-|Formamide, N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, dibenzoate (ester)|Formamide, N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-|N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl]dithio]-4-(benzoyloxy)-1-methyl-1-buten-1-yl]formamide

Molecular Formula	C38H42N8O6S2
Molecular Weight	770.26685 g/mol
LogP	6.0
Topological Polar Surface Area	196.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	19
Exact Mass	770.26685
Heavy Atoms	54
Complexity	1853.6

Chemical Identifiers

CAS Number	2667-89-2
SMILES	CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SSC(=C(C)N(CC3=CN=C(N=C3N)C)C=O)CCOC(=O)C4=CC=CC=C4)C