Chem
J-GLOBAL ID：201707012425109732   Nikkaji number：J3.649.997D

1-Tosyl-3-[N,N-bis(tert-butoxycarbonyl)cytosine-1-ylmethyl]-4-(phenylthiomethyl)-1H-pyrrole

1-トシル-3-[N,N-ビス(tert-ブトキシカルボニル)シトシン-1-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： C33H38N4O7S2
Molecular formula furigana： C33-H38-N4-O7-S2
Molecular weight： 666.810
InChI： InChI=1S/C33H38N4O7S2/c1-23-13-15-27(16-14-23)46(41,42)36-20-24(25(21-36)22-45-26-11-9-8-10-12-26)19-35-18-17-28(34-29(35)38)37(30(39)43-32(2,3)4)31(40)44-33(5,6)7/h8-18,20-21H,19,22H2,1-7H3
InChI key： IQVXWWPZDFNKCK-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(Cn2ccc(nc2=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
Systematic name  (3)：
  • 1-トシル-3-[N,N-ビス(tert-ブトキシカルボニル)シトシン-1-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-(1-{[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}-2-オキソ-1,2-ジヒドロピリミジン-4-イル)カルバマート
  • tert-butyl N-[(tert-butoxy)carbonyl]-N-(1-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
Other name (1)：
  • 1-Tosyl-3-[N,N-bis(tert-butoxycarbonyl)cytosine-1-ylmethyl]-4-(phenylthiomethyl)-1H-pyrrole
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