Chem
J-GLOBAL ID:200907027086987258   Nikkaji number:J2.256.926K

(5′S)-2′-O,3′-O-Bis(tert-butyldimethylsilyl)-5′-C-[(1S)-1-[3-[[(2S)-2-(tert-butyloxycarbonylamino)-4-methylpentanoyl]amino]propylamino]-2-(2,3-dihydro-1H-indole-1-yl)-2-oxoethyl]uridine

(5′S)-2′-O,3′-O-ビス(tert-ブチルジメチルシリル)-5′-C-[(1S)-1-[3-[[(2S)-2-(tert-ブチルオキシカルボニルアミノ)-4-メチルペンタノイル]アミノ]プロピルアミノ]-2-(2,3-ジヒドロ-1H-インドール-1-イル)-2-オキソエチル]ウリジン
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: C45H76N6O10Si2
Molecular formula furigana: C45-H76-N6-O10-SI2
Molecular weight: 917.305
InChI: InChI=1S/C45H76N6O10Si2/c1-28(2)27-30(48-42(57)59-43(3,4)5)38(54)47-24-18-23-46-33(39(55)50-25-21-29-19-16-17-20-31(29)50)34(53)35-36(60-62(12,13)44(6,7)8)37(61-63(14,15)45(9,10)11)40(58-35)51-26-22-32(52)49-41(51)56/h16-17,19-20,22,26,28,30,33-37,40,46,53H,18,21,23-25,27H2,1-15H3,(H,47,54)(H,48,57)(H,49,52,56)/t30-,33-,34-,35+,36+,37+,40+/m0/s1
InChI key: SAOMQRCNQJNQEW-WGJKDBSMSA-N
SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN[C@@H]([C@H](O)[C@H]1O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)n1ccc(=O)[nH]c1=O)C(=O)N1CCc2ccccc12
Systematic name  (3):
  • (5′S)-2′-O,3′-O-ビス(tert-ブチルジメチルシリル)-5′-C-[(1S)-1-[3-[[(2S)-2-(tert-ブチルオキシカルボニルアミノ)-4-メチルペンタノイル]アミノ]プロピルアミノ]-2-(2,3-ジヒドロ-1H-インドール-1-イル)-2-オキソエチル]ウリジン
  • tert-ブチル N-[(1S)-1-[(3-{[(1S,2S)-1-[(2R,3R,4R,5R)-3,4-ビス[(tert-ブチルジメチルシリル)オキシ]-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]-3-(2,3-ジヒドロ-1H-インドール-1-イル)-1-ヒドロキシ-3-オキソプロパン-2-イル]アミノ}プロピル)カルバモイル]-3-メチルブチル]カルバマート
  • tert-butyl N-[(1S)-1-[(3-{[(1S,2S)-1-[(2R,3R,4R,5R)-3,4-bis[(tert-butyldimethylsilyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]-3-(2,3-dihydro-1H-indol-1-yl)-1-hydroxy-3-oxopropan-2-yl]amino}propyl)carbamoyl]-3-methylbutyl]carbamate
Other name (1):
  • (5′S)-2′-O,3′-O-Bis(tert-butyldimethylsilyl)-5′-C-[(1S)-1-[3-[[(2S)-2-(tert-butyloxycarbonylamino)-4-methylpentanoyl]amino]propylamino]-2-(2,3-dihydro-1H-indole-1-yl)-2-oxoethyl]uridine
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