Chem
J-GLOBAL ID:200907024348830100   Nikkaji number:J1.155.069J

[(S)-1-[[2-[[[4-[1,2,3,6-Tetrahydro-1,3-dipropyl-2,6-dioxo-7H-purine-8-yl]phenoxy]acetyl]amino]ethyl]carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester

[(S)-1-[[2-[[[4-[1,2,3,6-テトラヒドロ-1,3-ジプロピル-2,6-ジオキソ-7H-プリン-8-イル]フェノキシ]アセチル]アミノ]エチル]カルバモイル]-3-(メチルチオ)プロピル]カルバミド酸tert-ブチル
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: C31H45N7O7S
Molecular formula furigana: C31-H45-N7-O7-S
Molecular weight: 659.800
InChI: InChI=1S/C31H45N7O7S/c1-7-16-37-26-24(28(41)38(17-8-2)30(37)43)35-25(36-26)20-9-11-21(12-10-20)44-19-23(39)32-14-15-33-27(40)22(13-18-46-6)34-29(42)45-31(3,4)5/h9-12,22H,7-8,13-19H2,1-6H3,(H,32,39)(H,33,40)(H,34,42)(H,35,36)/t22-/m0/s1
InChI key: GPUBUUVCQNGAKM-QFIPXVFZSA-N
SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1
Systematic name  (3):
  • [(S)-1-[[2-[[[4-[1,2,3,6-テトラヒドロ-1,3-ジプロピル-2,6-ジオキソ-7H-プリン-8-イル]フェノキシ]アセチル]アミノ]エチル]カルバモイル]-3-(メチルチオ)プロピル]カルバミド酸tert-ブチル
  • tert-ブチル N-[(1S)-1-[(2-{2-[4-(2,6-ジオキソ-1,3-ジプロピル-2,3,6,7-テトラヒドロ-1H-プリン-8-イル)フェノキシ]アセトアミド}エチル)カルバモイル]-3-(メチルスルファニル)プロピル]カルバマート
  • tert-butyl N-[(1S)-1-[(2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamido}ethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamate
Other name (1):
  • [(S)-1-[[2-[[[4-[1,2,3,6-Tetrahydro-1,3-dipropyl-2,6-dioxo-7H-purine-8-yl]phenoxy]acetyl]amino]ethyl]carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester
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