[(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-[[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-tetradecanoyloxy-pent-2-en-3-yl]disulfanyl]pent-3-enyl] tetradecanoate

Systemtic Name: [(E)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-[[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-tetradecanoyloxy-pent-2-en-3-yl]disulfanyl]pent-3-enyl] tetradecanoate Openeye Name: [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-tetradecanoyloxyethyl)prop-1-enyl]disulfanyl]pent-3-enyl] tetradecanoate CAS Name: tetradecanoic acid [(E)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-(1-oxotetradecoxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] ester IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-tetradecanoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] tetradecanoate Traditional Name: myristic acid [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-tetradecanoyloxyethyl)prop-1-enyl]disulfanyl]pent-3-enyl] ester Formula: C52H86N8O6S2 MolecularWeight: 983.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC/C(=C(\N(C=O)CC1=CN=C(N=C1N)C)/C)/SS/C(=C(/N(C=O)CC2=CN=C(N=C2N)C)\C)/CCOC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C52H86N8O6S2/c1-7-9-11-13-15-17-19-21-23-25-27-29-49(63)65-33-31-47(41(3)59(39-61)37-45-35-55-43(5)57-51(45)53)67-68-48(42(4)60(40-62)38-46-36-56-44(6)58-52(46)54)32-34-66-50(64)30-28-26-24-22-20-18-16-14-12-10-8-2/h35-36,39-40H,7-34,37-38H2,1-6H3,(H2,53,55,57)(H2,54,56,58)/b47-41+,48-42+