(Q76150676)

English

[(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]sulfanylpent-3-enyl] butanoate

chemical compound

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chemical compound

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mass

670.3261021920002 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₄₆N₈O₆S

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canonical SMILES

CCCC(=O)OCC/C(S/C(CCOC(=O)CCC)=C(\C)N(C=O)Cc1cnc(C)[nH]c1=N)=C(\C)N(C=O)Cc1cnc(C)[nH]c1=N

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based on heuristic

inferred from InChI

isomeric SMILES

CCCC(=O)OCC/C(=C(/C)\N(CC1=CN=C(N=C1N)C)C=O)/S/C(=C(/C)\N(CC2=CN=C(N=C2N)C)C=O)/CCOC(=O)CCC

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Identifiers

InChI

InChI=1S/C32H46N8O6S/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22+

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InChIKey

LSOMRFPIYXYVTB-KKTFQPMKSA-N

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PubChem CID

3041678

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matched by identifier from

InChIKey

LSOMRFPIYXYVTB-KKTFQPMKSA-N

1 reference

(Q76150676)

[(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]sulfanylpent-3-enyl] butanoate

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