Chem
J-GLOBAL ID：201707006413893799   Nikkaji number：J3.649.995H

1-Tosyl-3-[6-[bis(tert-butoxycarbonyl)amino]-9H-purine-9-ylmethyl]-4-(phenylthiomethyl)-1H-pyrrole

1-トシル-3-[6-[ビス(tert-ブトキシカルボニル)アミノ]-9H-プリン-9-イルメチル]-4-(フェニルチオメチル)-1H-ピロール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H38N6O6S2
Molecular formula furigana： C34-H38-N6-O6-S2
Molecular weight： 690.830
InChI： InChI=1S/C34H38N6O6S2/c1-23-13-15-27(16-14-23)48(43,44)39-18-24(25(19-39)20-47-26-11-9-8-10-12-26)17-38-22-37-28-29(38)35-21-36-30(28)40(31(41)45-33(2,3)4)32(42)46-34(5,6)7/h8-16,18-19,21-22H,17,20H2,1-7H3
InChI key： HDTNQCFUJIBJAE-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(Cn2cnc3c(ncnc23)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
Systematic name  (3)：
  • 1-トシル-3-[6-[ビス(tert-ブトキシカルボニル)アミノ]-9H-プリン-9-イルメチル]-4-(フェニルチオメチル)-1H-ピロール
  • tert-ブチル N-[(tert-ブトキシ)カルボニル]-N-(9-{[1-(4-メチルベンゼンスルホニル)-4-[(フェニルスルファニル)メチル]-1H-ピロール-3-イル]メチル}-9H-プリン-6-イル)カルバマート
  • tert-butyl N-[(tert-butoxy)carbonyl]-N-(9-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}-9H-purin-6-yl)carbamate
Other name (1)：
  • 1-Tosyl-3-[6-[bis(tert-butoxycarbonyl)amino]-9H-purine-9-ylmethyl]-4-(phenylthiomethyl)-1H-pyrrole
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