CoA-S-trimethylene-acetyl-tryptamine

cas: 252860-61-0 — see every product listed under this CAS number, including other names

CoA-S-trimethylene-acetyl-tryptamine (CAS 252860-61-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE01286-Get quote
cas252860-61-0
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Structural formula: {0} (CAS {1})

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (CAS 252860-61-0) is a chemical compound with the molecular formula C36H54N9O17P3S and a molecular weight of 1009.9 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate. InChIKey: RFOXOYXMKJPZDH-VTINEICCSA-N.

Identity
Molecular formulaC36H54N9O17P3S
Molecular weight1009.9 g/mol
IUPAC name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
InChIKeyRFOXOYXMKJPZDH-VTINEICCSA-N
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCC4=CNC5=CC=CC=C54)O

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