Chem
J-GLOBAL ID:200907011277385246   Nikkaji number:J1.777.878A

[(S)-1-[[(S)-1-Carbamoyl-2-phenylethyl]carbamoyl]-3-methylbutyl]carbamic acid 2′-uridyl ester

[(S)-1-[[(S)-1-カルバモイル-2-フェニルエチル]カルバモイル]-3-メチルブチル]カルバミド酸2′-ウリジル
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: C25H33N5O9
Molecular formula furigana: C25-H33-N5-O9
Molecular weight: 547.565
InChI: InChI=1S/C25H33N5O9/c1-13(2)10-16(22(35)27-15(21(26)34)11-14-6-4-3-5-7-14)28-25(37)39-20-19(33)17(12-31)38-23(20)30-9-8-18(32)29-24(30)36/h3-9,13,15-17,19-20,23,31,33H,10-12H2,1-2H3,(H2,26,34)(H,27,35)(H,28,37)(H,29,32,36)/t15-,16-,17+,19+,20+,23+/m0/s1
InChI key: QBPFSCQVMAOSQC-BUBAVSPTSA-N
SMILES: CC(C)C[C@H](NC(=O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (3):
  • [(S)-1-[[(S)-1-カルバモイル-2-フェニルエチル]カルバモイル]-3-メチルブチル]カルバミド酸2′-ウリジル
  • (2R,3R,4R,5R)-2-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-3-イル N-[(1S)-1-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}-3-メチルブチル]カルバマート
  • (2R,3R,4R,5R)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl N-[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamate
Other name (1):
  • [(S)-1-[[(S)-1-Carbamoyl-2-phenylethyl]carbamoyl]-3-methylbutyl]carbamic acid 2′-uridyl ester
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